Name: Vedroprevir
Rating: 5 (10 reviews)

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HIT ID:HIT214320365
Cas No:1098189-15-1
常用名:Vedroprevir
别名:GS-9451, GS9451, GS 9451
IUPAC:(1R,2R)-1-[(2S,4R)-4-({8-chloro-7-[2-(morpholin-4-yl)ethoxy]-2-{2-[(propan-2-yl)amino]-1,3-thiazol-4-yl}quinolin-4-yl}oxy)-1-[(2S)-3,3-dimethyl-2-({[(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yloxy]carbonyl}amino)butanoyl]pyrrolidine-2-amido]-2-ethylcyclopropane-1-carboxylic acid
IUPAC:(1R,2R)-1-[(2S,4R)-4-({8-chloro-7-[2-(morpholin-4-yl)ethoxy]-2-{2-[(propan-2-yl)amino]-1,3-thiazol-4-yl}quinolin-4-yl}oxy)-1-[(2S)-3,3-dimethyl-2-({[(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yloxy]carbonyl}amino)butanoyl]pyrrolidine-2-amido]-2-ethylcyclopropane-1-carboxylic acid
InChI key:OTXAMWFYPMNDME-FQQWJMKMSA-N

分子式:C45H60ClN7O9S
分子量:910.53
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@]1([H])C[C@@H](C2)OC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1CC)C(O)=O)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(C)(C)C
SMILES:[H][C@@]12C[C@]1([H])C[C@@H](C2)OC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1CC)C(O)=O)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(C)(C)C

Vedroprevir, also known as GS9451, is a selective hepatitis C virus (HCV) NS3 protease inhibitor in the development of the treatment of genotype 1 (GT1) HCV infection.

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