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Boceprevir metabolite 4-[d9]

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General Information
Catalog: BLP-003486
CAS: 1373318-84-3
Molecular Formula: C19H24D9N3O4
Molecular Weight: 376.54

Chemical Structure

Description	Boceprevir metabolite 4-[d9] is a labelled metabolite of the Hepatitis C virus NS3 serine protease inhibitor Boceprevir.
Synonyms	(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-({[2-(D3)methyl(D6)propan-2-yl]carbamoyl}amino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
IUPAC Name	(1R,2S,5S)-3-[(2S)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Related CAS	816444-90-3 (unlabelled)
Canonical SMILES	CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)O)C
InChI	InChI=1S/C19H33N3O4/c1-17(2,3)13(20-16(26)21-18(4,5)6)14(23)22-9-10-11(19(10,7)8)12(22)15(24)25/h10-13H,9H2,1-8H3,(H,24,25)(H2,20,21,26)/t10-,11-,12-,13+/m0/s1/i4D3,5D3,6D3
InChI Key	ODCGBMOBUUHGRG-PBXRENPXSA-N