3-(3-(1-((3S,6S,9S,12S,15R)-3-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-15-(((S)-1-(((S)-6-guanidino-2-oxohexan-3-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-1,4,7,10,13,21-hexaoxo-1-((S)-5-oxopyrrolidin-2-yl)-24,27,30-trioxa-2,5,8,11,14,20-hexaazadotriacontan-32-yl)-1H-1,2,3-triazol-4-yl)propoxy)-5-(3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy)benzoic acid

化合物标识与属性

PubChem CID

91827266

SMILES

CC1=C(C(=NN1)C)CCCOC2=CC(=CC(=C2)OCCCC3=CN(N=N3)CCOCCOCCOCCC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N4CCC[C@H]4C(=O)NCC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC8=CNC=N8)NC(=O)[C@@H]9CCC(=O)N9)C(=O)O

Canonical SMILES

Cc1n[nH]c(C)c1CCCOc1cc(OCCCc2cn(CCOCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)NCC(N)=O)nn2)cc(C(=O)O)c1