Products 402957-28-2

CAS 402957-28-2 appears in our catalog under these names: Telaprevir (VX–950), Telaprevir, min. 95 %, 250 mg, Telaprevir, Telaprevir/ 96.33% (existing batch purity), Telaprevir, 99.00%. Offered by: GLPBio, Roth, Chemat Brand, TRC, Mikromol. Available pack sizes: 2mg, 250mg, on request, 10mg, 25mg, 5mg, 10mM (in 1ml dmso), 1mg.

Structural formula: {0} (CAS {1})

Telaprevir is an oligopeptide consisting of N-(pyrazin-2-ylcarbonyl)cyclohexylalanyl, 3-methylvalyl, octahydrocyclopenta[c]pyrrole-1-carboxy, and 3-amino-N-cyclopropyl-2-oxohexanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection. It has a role as an antiviral drug, a peptidomimetic and a hepatitis C protease inhibitor. It is an oligopeptide, a cyclopentapyrrole, a member of pyrazines and a member of cyclopropanes.

Source: ChEBI

Identity
Molecular formulaC36H53N7O6
Molecular weight679.8 g/mol
IUPAC name(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
InChIKeyBBAWEDCPNXPBQM-GDEBMMAJSA-N
SMILESCCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5

Computed by PubChem (NCBI)