HIT ID: HIT214432575
Cas No: 1966138-53-3
分子式: C41H52Cl2N8O8
分子量: 855.82
常用名: Coblopasvir dihydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl N-[(2R)-1-[(2R)-2-{5-[4-(7-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-2H-1,3-benzodioxol-4-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride
IUPAC: methyl N-[(2R)-1-[(2R)-2-{5-[4-(7-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-2H-1,3-benzodioxol-4-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride
SMILES: Cl.Cl.COC(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c2OCOc12
SMILES: Cl.Cl.COC(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c2OCOc12
InChI key: NQXPKJCTLPFQIS-QIWSUBRASA-N
