(2S)-2-amino-N-[(3S,6S,9S,12R,15S,18S,21S,24R)-9-(4-aminobutyl)-3,15,18-tribenzyl-21-[3-(diaminomethylideneamino)propyl]-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclohexacos-24-yl]-3-(4-hydroxyphenyl)propanamide;2,2,2-trifluoroacetic acid

化合物标识与属性

CAS

496849-46-8

PubChem CID

145707720

SMILES

C[C@H]([C@H]1C(=O)N[C@H](C(=O)NCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CCCN=C(N)N)NC(=O)[C@H](CC6=CC=C(C=C6)O)N)CC7=CC=CC=C7)O.C(=O)(C(F)(F)F)O

Canonical SMILES

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O.O=C(O)C(F)(F)F