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Product Overview

Product Code

TRC-D288915

CAS Number

402958-98-9

Product Format

Neat

Molecular Formula

C27 H39 N5 O5

Molecular Weight

513.63

Product Categories

TRC, Chiral Molecules , Impurity Reference Materials , Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, API

Documentation

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Product Information

Chemical Data

Analyte Name

Des[N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]butyl]carboxamido] 1-Carboxy Telaprevir

CAS Number

402958-98-9

Molecular Formula

C27 H39 N5 O5

Molecular Weight

513.63

Accurate Mass

513.2951

SMILES

CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C2CCCCC2)C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)O

InChI

InChI=1S/C27H39N5O5/c1-27(2,3)22(25(35)32-15-17-10-7-11-18(17)21(32)26(36)37)31-24(34)20(16-8-5-4-6-9-16)30-23(33)19-14-28-12-13-29-19/h12-14,16-18,20-22H,4-11,15H2,1-3H3,(H,30,33)(H,31,34)(H,36,37)/t17-,18-,20-,21-,22+/m0/s1

IUPAC

(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

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Product Overview

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Des[N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]butyl]carboxamido] 1-Carboxy Telaprevir

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