(2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-(naphthalen-2-yl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide; acetic acid

化合物标识与属性

CAS

2378114-72-6

PubChem CID

168013315

SMILES

C[C@H]([C@@H](C(=O)N)NC(=O)C1CSSCC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N1)C(C)C)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)O.CC(=O)O

Canonical SMILES

CC(=O)O.CC(C)C1NC(=O)[C@H](CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSCC(C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O