(4S)-4-amino-4-{[(2S,3R)-1-[(2S)-2-{[(1S)-1-{[(4R,7S,10S,13S,16S,19R)-10-(3-aminopropyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}butanoic acid

化合物标识与属性

CAS

479065-85-5

PubChem CID

171360506

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]2CSSCC(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC2=O)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCN)CC6=CC=C(C=C6)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)N)O

Canonical SMILES

CC(C)[C@H](NC(=O)C1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)NC(Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)NC(Cc2ccc(O)cc2)C(=O)N1)C(=O)O