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4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-(isobutyl-[d9])benzenesulfonamide

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4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-(isobutyl-[d9])benzenesulfonamide

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General Information
Catalog: BLP-007696
CAS: 1146967-60-3
Molecular Formula: C20H20D9N3O3S
Molecular Weight: 400.58

Chemical Structure

Description	4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-(isobutyl-[d9])benzenesulfonamide is a labelled metabolite of Darunavir.
Synonyms	4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl-d9)benzenesulfonamide
IUPAC Name	4-amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]benzenesulfonamide
Canonical SMILES	CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N
InChI	InChI=1S/C20H29N3O3S/c1-15(2)13-23(27(25,26)18-10-8-17(21)9-11-18)14-20(24)19(22)12-16-6-4-3-5-7-16/h3-11,15,19-20,24H,12-14,21-22H2,1-2H3/t19-,20+/m0/s1/i1D3,2D3,13D2,15D
InChI Key	NUMJNKDUHFCFJO-NYFGYQHGSA-N