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[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino]propyl]carbamic Acid (tert-Butyl Ester-[d9])

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Metabolic Research

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Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino]propyl]carbamic Acid (tert-Butyl Ester-[d9])

Name: [(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino]propyl]carbamic Acid (tert-Butyl Ester-[d9])
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-007697
CAS: 1146967-63-6
Molecular Formula: C25H28D9N3O5S
Molecular Weight: 500.70

Chemical Structure

Description	A labelled Darunavir intermediate, which is a potent inhibitor of HIV-1 protease.
IUPAC Name	tert-butyl N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CAS	183004-94-6 (unlabelled)
Canonical SMILES	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)N
InChI	InChI=1S/C25H37N3O5S/c1-18(2)16-28(34(31,32)21-13-11-20(26)12-14-21)17-23(29)22(15-19-9-7-6-8-10-19)27-24(30)33-25(3,4)5/h6-14,18,22-23,29H,15-17,26H2,1-5H3,(H,27,30)/t22-,23+/m0/s1/i1D3,2D3,16D2,18D
InChI Key	GSFKNEPGHWUCQO-KBXJMHHXSA-N
Purity	>98%
Solubility	Soluble in DCM, Methanol
Appearance	Light Yellow Solid