(9S,15S,18S,21S,24S,27S)-24-((1H-imidazol-4-yl)methyl)-21-((1H-indol-3-yl)methyl)-1-amino-27-(3-(2-(2-(2-(4-(3-(3-carboxy-5-(3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy)phenoxy)propyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)propanamido)-15-(4-hydroxybenzyl)-18-(hydroxymethyl)-1-imino-9-isobutyl-8,11,14,17,20,23,26-heptaoxo-2,7,10,13,16,19,22,25-octaazatriacontan-30-oic acid

化合物标识与属性

PubChem CID

91827268

SMILES

CC1=C(C(=NN1)C)CCCOC2=CC(=CC(=C2)OCCCC3=CN(N=N3)CCOCCOCCOCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)NCC(=O)N)C(=O)O

Canonical SMILES

Cc1n[nH]c(C)c1CCCOc1cc(OCCCc2cn(CCOCCOCCOCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=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