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Narlaprevir-[d9]

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General Information
Catalog: BLP-004910
CAS: 1229337-34-1
Molecular Formula: C36H52D9N5O7S
Molecular Weight: 717.02

Chemical Structure

Description	Narlaprevir-[d9] is the labelled analogue of Narlaprevir. Narlaprevir is a potent, selective, orally bioavailable inhibitor of the hepatitis C virus (HCV) nonstructural protein 3 serine protease that is primarily metabolized by the cytochrome P450-3A4 system.
Synonyms	Narlaprevir D9; Narlaprevir-d9
IUPAC Name	(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-4,4,5,5,6,6,7,7,7-nonadeuterio-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Related CAS	865466-24-6 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C
Canonical SMILES	CCCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C
InChI	InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1/i1D3,10D2,11D2,15D2
InChI Key	RICZEKWVNZFTNZ-AVTGELPISA-N
Solubility	Slightly soluble in Methanol
Appearance	Off-white Solid