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Product Overview

Product Code

TRC-D290330

CAS Number

198904-86-8

EP Description

Atazanavir Sulfate Impurity J

Product Format

Neat

Molecular Formula

C32 H42 N4 O5

Molecular Weight

562.70

API Family

Atazanavir, Atazanavir Sulfate

Product Categories

TRC, Impurity Reference Materials , Antivirals and antiretrovirals, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir

CAS Number

198904-86-8

Molecular Formula

C32 H42 N4 O5

Molecular Weight

562.70

Accurate Mass

562.3155

SMILES

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H42N4O5/c1-31(2,3)40-29(38)34-27(20-23-12-8-7-9-13-23)28(37)22-36(35-30(39)41-32(4,5)6)21-24-15-17-25(18-16-24)26-14-10-11-19-33-26/h7-19,27-28,37H,20-22H2,1-6H3,(H,34,38)(H,35,39)/t27-,28-/m0/s1

IUPAC

tert-butyl N-[[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Atazanavir; Atazanavir Sulfate

Product Description

Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir is an intermediate for the synthesis of Atazanavir (A790051) and the preparation of some peptide analogs.

References: Martin, J., et al.: Prog. Med. Chem., 32, 239 (1995), Jadhav, P., et al.: J. Med. Chem., 40, 181 (1997), Bold, G., et al.: J. Med. Chem., 41, 3387 (1998);

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