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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK324768

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CC(=O)O)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CC(C)C)C(O)=NCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@H](C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@H](C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC

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InChI: InChI=1S/C205H340N60O53/c1-20-114(16)162(261-179(296)128(66-40-46-86-211)235-176(293)135(74-78-155(273)274)243-170(287)125(63-37-43-83-208)241-192(309)148(106-266)257-174(291)126(64-38-44-84-209)234-171(288)129(67-47-87-225-201(215)216)240-185(302)142(98-119-55-29-24-30-56-119)252-187(304)144(100-121-59-33-26-34-60-121)253-189(306)146(102-158(279)280)233-154(272)104-230-167(284)138(94-109(6)7)248-166(283)122(212)93-108(4)5)194(311)231-105-153(271)232-123(61-35-41-81-206)168(285)242-136(75-79-156(275)276)177(294)251-141(97-118-53-27-23-28-54-118)184(301)238-124(62-36-42-82-207)169(286)236-131(69-49-89-227-203(219)220)181(298)263-164(116(18)22-3)197(314)259-160(112(12)13)195(312)246-134(73-77-151(213)269)175(292)237-132(70-50-90-228-204(221)222)180(297)262-163(115(17)21-2)196(313)245-127(65-39-45-85-210)172(289)256-147(103-159(281)282)190(307)254-143(99-120-57-31-25-32-58-120)186(303)249-139(95-110(8)9)183(300)239-130(68-48-88-226-202(217)218)173(290)255-145(101-152(214)270)188(305)250-140(96-111(10)11)191(308)260-161(113(14)15)199(316)265-92-52-72-150(265)193(310)244-133(71-51-91-229-205(223)224)182(299)264-165(117(19)268)198(315)247-137(76-80-157(277)278)178(295)258-149(107-267)200(317)318/h23-34,53-60,108-117,122-150,160-165,266-268H,20-22,35-52,61-107,206-212H2,1-19H3,(H2,213,269)(H2,214,270)(H,230,284)(H,231,311)(H,232,271)(H,233,272)(H,234,288)(H,235,293)(H,236,286)(H,237,292)(H,238,301)(H,239,300)(H,240,302)(H,241,309)(H,242,285)(H,243,287)(H,244,310)(H,245,313)(H,246,312)(H,247,315)(H,248,283)(H,249,303)(H,250,305)(H,251,294)(H,252,304)(H,253,306)(H,254,307)(H,255,290)(H,256,289)(H,257,291)(H,258,295)(H,259,314)(H,260,308)(H,261,296)(H,262,297)(H,263,298)(H,264,299)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,317,318)(H4,215,216,225)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t114-,115-,116-,117+,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,160-,161-,162-,163-,164-,165-/m0/s1

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InChIKey: POIUWJQBRNEFGX-XAMSXPGMSA-N

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Reference

PubChem CID: 175647761

CAS: 154947-66-7

NPASS: NPC489217

Source

Species Genus Family Order Class Phylum Kingdom Domain
Geodia barretti Geodia Geodiidae Tetractinellida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 4493.341999999994

TPSA？: 2025.2499999999984

MolLogP？: 16.876489999999976

Number of H-Donors: 70

Number of H-Acceptors: 59

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 6250.0 nM 10.1021/acs.jmedchem.1c00795
Bacillus subtilis Bacillus subtilis MIC 8.0 ug.mL-1 10.1128/aac.01790-09
Bacillus subtilis Bacillus subtilis MIC 400.0 nM 10.1016/j.bmc.2009.03.049
Bacteria Cell membrane Activity 70.07 % 10.1016/j.ejmech.2020.112580
Bacteria Cell membrane Activity nan None 10.1016/j.ejmech.2020.112580
Bacteria Cell membrane Activity nan None 10.1021/acs.jmedchem.1c00795
Bacteria Lipopolysaccharide (LPS) Activity 68.0 % 10.1016/j.ejmech.2020.112580
Bacteria Lipopolysaccharide (LPS) Inhibition nan % 10.1016/j.ejmech.2020.112580
Citrobacter freundii Citrobacter freundii MIC 64.0 ug.mL-1 10.1128/aac.01790-09
Enterococcus faecium Enterococcus faecium MIC 32.0 ug.mL-1 10.1128/aac.01790-09
Enterococcus faecium Enterococcus faecium MIC 8000.0 nM 10.1016/j.ejmech.2019.111623
Escherichia coli Escherichia coli Activity 3.0 % 10.1128/aac.00473-07
Escherichia coli Escherichia coli Activity 5.0 % 10.1128/aac.00473-07
Escherichia coli Escherichia coli Activity 55.5 % 10.1016/j.ejmech.2019.111623
Escherichia coli Escherichia coli Activity 75.38 % 10.1021/acs.jmedchem.8b01135
Escherichia coli Escherichia coli Activity nan None 10.1016/j.bmcl.2013.06.016
Escherichia coli Escherichia coli Activity nan None 10.1016/j.ejmech.2016.09.071
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.01271-07
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.01448-09
Escherichia coli Escherichia coli MEC 6.2 ug ml-1 10.1128/aac.00473-07
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1128/aac.01790-09
Escherichia coli Escherichia coli MIC 400.0 nM 10.1016/j.bmc.2009.03.049
Escherichia coli Escherichia coli MIC 1000.0 nM 10.1021/acs.jnatprod.5b00210
Escherichia coli Escherichia coli MIC 1560.0 nM 10.1021/acs.jmedchem.1c00795
Escherichia coli Escherichia coli MIC 7100.0 nM 10.1016/j.bmcl.2013.06.016
Escherichia coli Escherichia coli MIC100 8.0 uM 10.1016/j.ejmech.2020.112580
Escherichia coli Escherichia coli MIC100 16.0 uM 10.1016/j.ejmech.2020.112580
Escherichia coli Escherichia coli MIC100 32.0 ug ml-1 10.1016/j.ejmech.2016.09.071
[Haemophilus] ducreyi [Haemophilus] ducreyi Activity 16.0 % 10.1128/aac.00473-07
[Haemophilus] ducreyi [Haemophilus] ducreyi Activity 43.0 % 10.1128/aac.00473-07
[Haemophilus] ducreyi [Haemophilus] ducreyi Activity nan None 10.1128/aac.00473-07
[Haemophilus] ducreyi [Haemophilus] ducreyi MEC 158.0 ug ml-1 10.1128/aac.00473-07
Homo sapiens Glucocorticoid receptor Activity nan None 10.1128/aac.01682-09
Homo sapiens MRC5 IC50 64000.0 nM 10.1021/acs.jmedchem.1c00795
Klebsiella oxytoca Klebsiella oxytoca MIC 64.0 ug.mL-1 10.1128/aac.01790-09
Listeria monocytogenes Listeria monocytogenes MIC 32.0 ug.mL-1 10.1128/aac.01790-09
Micrococcus luteus Micrococcus luteus MIC 64.0 ug.mL-1 10.1128/aac.01790-09
Mus musculus RAW264.7 Activity 13.98 % 10.1016/j.ejmech.2020.112580
Mus musculus RAW264.7 Activity 25.44 % 10.1016/j.ejmech.2020.112580
Mus musculus RAW264.7 Inhibition nan % 10.1016/j.ejmech.2019.111623
Mus musculus RAW264.7 Inhibition nan % 10.1016/j.ejmech.2020.112580
Mus musculus Transcription factor p65 Activity nan None 10.1021/jm401134n
Neisseria meningitidis Neisseria meningitidis MIC 1.98 ug.mL-1 10.1128/aac.01168-09
Neisseria meningitidis Neisseria meningitidis MIC 7.8 ug.mL-1 10.1128/aac.01168-09
Porphyromonas gingivalis Porphyromonas gingivalis MIC 200.0 ug.mL-1 10.1128/aac.01271-07
Pseudomonas aeruginosa Pseudomonas aeruginosa FC 2.0 None 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa FIC 0.25 None 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa FIC 0.5 None 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa FIC 1.0 None 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa FICI 0.75 None 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa FICI 2.0 None 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa IC90 64.0 ug.mL-1 10.1016/j.ejmech.2016.09.071
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 64.0 ug.mL-1 10.1128/aac.01790-09
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 2000.0 nM 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 2500.0 nM 10.1128/aac.00477-08
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 4000.0 nM 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 7100.0 nM 10.1016/j.bmcl.2013.06.016
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 8000.0 nM 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 128000.0 nM 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 256000.0 nM 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 512000.0 nM 10.1016/j.ejmech.2019.111623
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC100 64.0 ug ml-1 10.1016/j.ejmech.2016.09.071
Pseudomonas sp. Pseudomonas sp. MIC 1560.0 nM 10.1021/acs.jmedchem.1c00795
Salmonella enterica Salmonella enterica MIC 64.0 ug.mL-1 10.1128/aac.01790-09
Salmonella enterica Salmonella enterica MIC 12500.0 nM 10.1021/acs.jmedchem.1c00795
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium MIC 66.0 ug.mL-1 10.1128/aac.00205-08
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium MIC 15000.0 nM 10.1128/aac.01016-08
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium MIC 25000.0 nM 10.1128/aac.01016-08
Shigella flexneri Shigella flexneri MIC 12500.0 nM 10.1021/acs.jmedchem.1c00795
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1016/j.bmcl.2013.06.016
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1016/j.ejmech.2016.09.071
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/acsmedchemlett.5b00433
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1128/aac.01790-09
Staphylococcus aureus Staphylococcus aureus FC 2.0 None 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus FIC 0.25 None 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus FIC 0.25 None 10.1016/j.ejmech.2020.112580
Staphylococcus aureus Staphylococcus aureus FIC 0.5 None 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus FIC 0.5 None 10.1016/j.ejmech.2020.112580
Staphylococcus aureus Staphylococcus aureus FIC 1.0 None 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus FICI 0.75 None 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus FICI 0.75 None 10.1016/j.ejmech.2020.112580
Staphylococcus aureus Staphylococcus aureus FICI 1.0 None 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus FICI 1.0 None 10.1016/j.ejmech.2020.112580
Staphylococcus aureus Staphylococcus aureus FICI 1.25 None 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus Inhibition 40.0 % 10.1016/j.ejmech.2017.10.066
Staphylococcus aureus Staphylococcus aureus Inhibition 50.0 % 10.1021/acsmedchemlett.5b00433
Staphylococcus aureus Staphylococcus aureus Inhibition nan % 10.1021/acsmedchemlett.5b00433
Staphylococcus aureus Staphylococcus aureus MIC 64.0 ug.mL-1 10.1128/aac.01790-09
Staphylococcus aureus Staphylococcus aureus MIC 1000.0 nM 10.1021/acs.jnatprod.5b00210
Staphylococcus aureus Staphylococcus aureus MIC 2000.0 nM 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus MIC 2500.0 nM 10.1128/aac.00477-08
Staphylococcus aureus Staphylococcus aureus MIC 3600.0 nM 10.1016/j.bmcl.2013.06.016
Staphylococcus aureus Staphylococcus aureus MIC 4000.0 nM 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus MIC 5000.0 nM 10.1128/aac.00477-08
Staphylococcus aureus Staphylococcus aureus MIC 6250.0 nM 10.1021/acsmedchemlett.5b00433
Staphylococcus aureus Staphylococcus aureus MIC 7100.0 nM 10.1016/j.bmcl.2013.06.016
Staphylococcus aureus Staphylococcus aureus MIC 8000.0 nM 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus MIC 12500.0 nM 10.1021/acsmedchemlett.5b00433
Staphylococcus aureus Staphylococcus aureus MIC 16000.0 nM 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus MIC 50000.0 nM 10.1021/acsmedchemlett.5b00433
Staphylococcus aureus Staphylococcus aureus MIC 64000.0 nM 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus MIC 256000.0 nM 10.1016/j.ejmech.2019.111623
Staphylococcus aureus Staphylococcus aureus MIC100 8.0 uM 10.1016/j.ejmech.2020.112580
Staphylococcus aureus Staphylococcus aureus MIC100 16.0 uM 10.1016/j.ejmech.2020.112580
Staphylococcus aureus Staphylococcus aureus MIC100 32.0 ug ml-1 10.1016/j.ejmech.2016.09.071
Staphylococcus aureus Staphylococcus aureus MIC100 64.0 uM 10.1016/j.ejmech.2020.112580
Staphylococcus aureus Staphylococcus aureus MIC100 128.0 uM 10.1016/j.ejmech.2020.112580
Staphylococcus aureus Staphylococcus aureus MIC100 256.0 uM 10.1016/j.ejmech.2020.112580
Staphylococcus epidermidis Staphylococcus epidermidis MIC 14200.0 nM 10.1016/j.bmcl.2013.06.016
Staphylococcus epidermidis Staphylococcus epidermidis MIC100 32.0 ug ml-1 10.1016/j.ejmech.2016.09.071
Streptococcus mutans Streptococcus mutans Activity nan None 10.1128/aac.01271-07
Streptococcus pneumoniae Streptococcus pneumoniae MBC 250.0 ug ml-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MBC 500.0 ug ml-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MBC 1000.0 ug ml-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MBC 2000.0 ug ml-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.125 ug.mL-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 12.0 ug.mL-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 64.0 ug.mL-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 125.0 ug.mL-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 250.0 ug.mL-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 500.0 ug.mL-1 10.1128/aac.01756-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 2000.0 ug.mL-1 10.1128/aac.01756-09
None ADMET HC10 36.7 uM 10.1016/j.bmcl.2013.06.016
None ADMET MHC nan None 10.1016/j.bmc.2009.03.049
None ADMET Stability nan % 10.1128/aac.00477-08
None ADMET TI 25.6 None 10.1016/j.ejmech.2016.09.071
None ADMET TI nan None 10.1016/j.bmc.2009.03.049
None Unchecked Activity 58.0 uM 10.1021/acs.jmedchem.1c00795
None Unchecked FIC 0.25 None 10.1016/j.ejmech.2020.112580
None Unchecked FIC 0.5 None 10.1016/j.ejmech.2020.112580
None Unchecked FICI 0.75 None 10.1016/j.ejmech.2020.112580
None Unchecked FICI 1.0 None 10.1016/j.ejmech.2020.112580
None Unchecked FICI 1.25 None 10.1016/j.ejmech.2020.112580
None Unchecked MIC100 128.0 uM 10.1016/j.ejmech.2020.112580
None Unchecked MIC100 512.0 uM 10.1016/j.ejmech.2020.112580

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010120 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC>>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O enzymemap_74441
AKRT010121 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC>>CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C enzymemap_74442
AKRT010122 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC>>CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC enzymemap_74441
AKRT010123 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC>>CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC enzymemap_74442