None

AlkaPlorer ID: AK324340

Synonym: None

IUPAC Name: None

Structure

SMILES: C=C1N=C(O)[C@H](CC2=CNC3=CC=C(Cl)C=C23)N=C(O)[C@@H](N=C(O)/C(=C/C)N=C(O)[C@@H](N)C(C)C)CSC[C@@H](C(O)=N[C@@H]2C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@H]3CSC[C@@H]4N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CSC[C@@H]5N=C(O)[C@H](CC6=CC=CC=C6)N=C(O)[C@H](CS/C=C\N=C5O)N=C4O)N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@@H]4CCCN4C3=O)[C@@H](C)O)CSC2C)N=C(O)[C@H](CC(C)C)N=C1O

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InChI: InChI=1S/C94H126ClN25O26S5/c1-9-52(106-91(143)73(96)44(4)5)78(130)112-61-38-149-40-63(114-80(132)54(25-43(2)3)107-76(128)45(6)103-79(131)56(109-85(61)137)27-49-30-98-53-20-19-50(95)28-51(49)53)87(139)118-75-47(8)151-42-64(105-71(125)34-102-90(142)67-18-14-23-120(67)94(75)146)88(140)117-74(46(7)121)92(144)116-65-41-150-39-62-86(138)115-60-35-147-24-21-97-77(129)58(111-81(133)55(108-84(60)136)26-48-15-11-10-12-16-48)36-148-37-59(83(135)110-57(29-72(126)127)82(134)113-62)104-70(124)33-100-68(122)31-99-69(123)32-101-89(141)66-17-13-22-119(66)93(65)145/h9-12,15-16,19-21,24,28,30,43-44,46-47,54-67,73-75,98,121H,6,13-14,17-18,22-23,25-27,29,31-42,96H2,1-5,7-8H3,(H,97,129)(H,99,123)(H,100,122)(H,101,141)(H,102,142)(H,103,131)(H,104,124)(H,105,125)(H,106,143)(H,107,128)(H,108,136)(H,109,137)(H,110,135)(H,111,133)(H,112,130)(H,113,134)(H,114,132)(H,115,138)(H,116,144)(H,117,140)(H,118,139)(H,126,127)/b24-21-,52-9-/t46-,47?,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,73+,74+,75+/m1/s1

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InChIKey: WURANJMKYPYVRB-QKJBSKPHSA-N

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Reference

PubChem CID: 76310118

NPASS: NPC487088

Properties Information

Molecule Weight: 2217.979

TPSA: 824.3500000000005

MolLogP: 9.731500000000011

Number of H-Donors: 25

Number of H-Acceptors: 31

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterococcus faecalis Enterococcus faecalis MIC 4.0 ug.mL-1 10.1021/np400702t
Enterococcus faecalis Enterococcus faecalis MIC 8.0 ug.mL-1 10.1021/np400702t
Enterococcus faecium Enterococcus faecium MIC 8.0 ug.mL-1 10.1021/np400702t
Staphylococcus aureus Staphylococcus aureus MIC 0.5 ug.mL-1 10.1021/np400702t
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1021/np400702t
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.03 ug.mL-1 10.1021/np400702t
Streptococcus pyogenes Streptococcus pyogenes MIC 0.001 ug.mL-1 10.1021/np400702t

Metabolism Information