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Product Overview

Product Code

TRC-B279950

CAS Number

183004-94-6

Product Format

Neat

Molecular Formula

C25 H37 N3 O5 S

Molecular Weight

491.64

Product Categories

TRC, Anti-HIV agents, Antivirals and antiretrovirals, Pharmaceutical Toxicology Reference Materials

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Product Information

Chemical Data

Analyte Name

tert-Butyl N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[(4-aminophenyl)sulfonyl(2-methylpropyl)amino]propyl]carbamate

CAS Number

183004-94-6

Molecular Formula

C25 H37 N3 O5 S

Molecular Weight

491.64

Accurate Mass

491.2454

SMILES

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(N)cc2

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

IUPAC

tert-butyl N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Darunavir intermediate, a potent inhibitor of HIV-1 protease.

References: Debouck, C., et al.: Drug Dev. Res., 21, 1

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

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