N-((10S,13S,16S)-18-(2-amino-2-oxoethyl)-3-(3-aminopropanoyl)-9,10,12,13,15,16,23-heptamethyl-6-(2-(N-methyl-4-(3-(5-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenoxy)butanamido)ethyl)-27-(3-(5-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenoxy)-5,8,11,14,17,24-hexaoxo-3,6,9,12,15,18,23-heptaazaheptacosyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

化合物标识与属性

PubChem CID

122238816

SMILES

C[C@@H](C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(CCCCN(C)C(=O)CCCOC1=CC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=CC(=C5)N6CCN(CC6)C)CC(=O)N)N(C)C(=O)CN(CCN(C)C(=O)CCCOC7=CC=CC(=C7)C8=NC9=C(N8)C=C(C=C9)C1=NC2=C(N1)C=CC(=C2)N1CCN(CC1)C)C(=O)CN(CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)CCN

Canonical SMILES

C[C@@H](C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(CCCCN(C)C(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)cc3[nH]2)c1)CC(N)=O)N(C)C(=O)CN(CCN(C)C(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)cc3[nH]2)c1)C(=O)CN(CCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)CCN