2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10-((1H-Imidazol-5-yl)methyl)-19-((1H-indol-3-yl)methyl)-34-((2S,3S)-2-((R)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)-4-(((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)(methyl)carbamoyl)-25-(3-amino-3-oxopropyl)-7-(3-guanidinopropyl)-31-isopropyl-13,17-dimethyl-28-((1-methyl-1H-indol-3-yl)methyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl)acetic acid compound acetic acid salt

Compound Identifiers & Properties

PubChem CID

155903220

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC2=CN(C3=CC=CC=C32)C)CCC(=O)N)CC(=O)O)CC4=CNC5=CC=CC=C54)C)C)CC6=CN=CN6)CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N)NC(=O)[C@@H](CC7=CC=C(C=C7)O)N.CC(=O)O

Canonical SMILES

CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N(C)[C@H](C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O