(4S,10S,13S,16S,19S)-19-((S)-5-Amino-2-((S)-2-amino-4-methylpentanamido)-5-oxopentanamido)-4-(((5S,8R,14S)-5-carbamoyl-15-(4-hydroxyphenyl)-8-(mercaptomethyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-14-yl)carbamoyl)-16-(2-carboxyethyl)-13-(carboxymethyl)-10-methyl-6,9,12,15,18-pentaoxo-5,8,11,14,17-pentaazadocosanedioic acid compound with 2,2,2-trifluoroacetic acid (1:1)

化合物标识与属性

PubChem CID

168447737

SMILES

C[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)N.C(=O)(C(F)(F)F)O

Canonical SMILES

CSCC[C@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(N)=O.O=C(O)C(F)(F)F