(2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-phenylpropanamido]-10-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide

化合物标识与属性

CAS

103429-32-9

PubChem CID

172653453

SMILES

C[C@H]([C@H]1C(=O)NC(C(SSCC(C(=O)NC(C(=O)N[C@@H](C(=O)NC(C(=O)N1)CCCN=C(N)N)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)O

Canonical SMILES

C[C@@H](O)[C@H](NC(=O)C1NC(=O)[C@H]([C@@H](C)O)NC(=O)C(CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O