N-((4S,7S,10S)-18-(2-amino-2-oxoethyl)-15-(3-azidopropyl)-3,4,6,7,9,10-hexamethyl-12-(4-(N-methyl-4-(3-(5-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenoxy)butanamido)butyl)-2,5,8,11,14,17,22-heptaoxo-26-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9,12,15,18,21-heptaazahexacosyl)-N-(2-(N-methyl-4-(3-(5-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenoxy)butanamido)ethyl)-6-propiolamidohexanamide

化合物标识与属性

PubChem CID

122238826

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(CCCN=[N+]=[N-])CC(=O)N(CCNC(=O)CCCC[C@H]7[C@@H]8[C@H](CS7)NC(=O)N8)CC(=O)N)N(C)C(=O)CN(CCN(C)C(=O)CCCOC9=CC=CC(=C9)C1=NC2=C(N1)C=C(C=C2)C1=NC2=C(N1)C=CC(=C2)N1CCN(CC1)C)C(=O)CCCCCNC(=O)C#C

Canonical SMILES

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