None

AlkaPlorer ID: AK322830

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@H](C)N=C(O)[C@H](CC1=CN=CN1)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](C)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H](N=C(O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@H](C(=N)O)C(C)C

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InChI: InChI=1S/C118H201N33O30S/c1-20-64(11)94(115(178)133-70(17)101(164)137-79(42-44-90(157)158)106(169)139-77(40-30-34-49-122)109(172)147-92(62(7)8)98(125)161)148-108(171)76(39-29-33-48-121)136-89(156)59-129-104(167)80(45-50-182-19)138-100(163)69(16)132-110(173)83(53-73-56-126-60-130-73)142-102(165)71(18)134-116(179)95(65(12)21-2)149-112(175)81(51-61(5)6)143-107(170)78(41-43-85(124)152)140-105(168)75(38-28-32-47-120)135-88(155)58-127-99(162)68(15)131-87(154)57-128-103(166)74(37-27-31-46-119)141-117(180)96(66(13)22-3)151-118(181)97(67(14)23-4)150-113(176)84(54-91(159)160)144-111(174)82(52-72-35-25-24-26-36-72)145-114(177)93(63(9)10)146-86(153)55-123/h24-26,35-36,56,60-71,74-84,92-97H,20-23,27-34,37-55,57-59,119-123H2,1-19H3,(H2,124,152)(H2,125,161)(H,126,130)(H,127,162)(H,128,166)(H,129,167)(H,131,154)(H,132,173)(H,133,178)(H,134,179)(H,135,155)(H,136,156)(H,137,164)(H,138,163)(H,139,169)(H,140,168)(H,141,180)(H,142,165)(H,143,170)(H,144,174)(H,145,177)(H,146,153)(H,147,172)(H,148,171)(H,149,175)(H,150,176)(H,151,181)(H,157,158)(H,159,160)/t64-,65-,66-,67-,68-,69-,70-,71-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-,94-,95-,96-,97-/m0/s1

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InChIKey: UMRSKLULIZVNSD-TUMDWCODSA-N

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Reference

PubChem CID: 122181721

NPASS: NPC479135

Source

Species Genus Family Order Class Phylum Kingdom Domain
Leptodactylus pustulatus Leptodactylus Leptodactylidae Anura Amphibia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 2594.173999999997

TPSA: 1103.7000000000005

MolLogP: 14.93163999999996

Number of H-Donors: 36

Number of H-Acceptors: 35

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli MIC 80000.0 nM 10.1021/np500907t
Klebsiella pneumoniae Klebsiella pneumoniae MIC 310000.0 nM 10.1021/np500907t
Salmonella enterica Salmonella enterica MIC 310000.0 nM 10.1021/np500907t
Staphylococcus aureus Staphylococcus aureus MIC 310000.0 nM 10.1021/np500907t
None ADMET Activity 0.19 % 10.1021/np500907t
None ADMET Activity 4.29 % 10.1021/np500907t
None ADMET Activity nan None 10.1021/np500907t

Metabolism Information