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Asunaprevir-[d9]

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General Information
Catalog: BLP-003351
Molecular Formula: C35H37D9ClN5O9S
Molecular Weight: 757.34

Chemical Structure

Description	Asunaprevir-[d9] is a labelled Asunaprevir, a potent hepatitis C virus (HCV) non-structural protein protease inhibitor currently in Phase III clinical trials for the treatment of HCV infection.
Synonyms	2-(2H3)methyl(2H6)propan-2-yl N-(1-{4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-2-({1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}carbamoyl)pyrrolidin-1-yl}-3,3-dimethyl-1-oxobutan-2-yl)carbamate
IUPAC Name	[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl] N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Related CAS	630420-16-5 (unlabelled)
Canonical SMILES	CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C
InChI	InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1/i5D3,6D3,7D3
InChI Key	XRWSZZJLZRKHHD-ORKMMOENSA-N