(4S,7S,10S,13S,16S,19S,22S)-16-(2-Amino-2-oxoethyl)-4-(((6S,9S,12S,15S,18S)-1-amino-6-carbamoyl-12-(4-((2,4-dinitrophenyl)amino)butyl)-9,15-bis(3-guanidinopropyl)-1-imino-8,11,14,17-tetraoxo-19-phenyl-2,7,10,13,16-pentaazanonadecan-18-yl)carbamoyl)-10-(carboxymethyl)-22-((S)-3-hydroxy-2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido)propanamido)-13-isobutyl-19-isopropyl-7-methyl-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexaazapentacosane-1,25-dioic acid

化合物标识与属性

CAS

438625-61-7

PubChem CID

131853985

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Canonical SMILES

COc1ccc2c(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc(=O)oc2c1