Name: Coblopasvir dihydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214432575
Cas No:1966138-53-3
常用名:Coblopasvir dihydrochloride
别名:Coblopasvir dihydrochloride(1312608-46-0 Free base)
别名:Coblopasvir dihydrochloride(1312608-46-0 Free base)
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
InChI key:NQXPKJCTLPFQIS-QIWSUBRASA-N

分子式:C41H52Cl2N8O8
分子量:855.82
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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

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