(1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]octahydrocyclopenta[c]pyrrole-1-carboxamide
Product Code
MM3379.02-0025
CAS Number
Product Format
Neat
Molecular Formula
C27 H40 N6 O4
Molecular Weight
512.64
API Family
TelaprevirProduct Categories
Antivirals and antiretrovirals, Impurity Reference Materials , Mikromol
Product Type
ImpurityDrug Type
Antivirals
Price and availability
Product Information
Product Data
Analyte Name
(1S,3aR,6aS)-2-[(2S)-2-[((2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl)amino]-3,3-dimethyl-1-oxobutyl]octahydrocyclopenta[c]pyrrole-1-carboxamide
CAS Number
1616728-72-3
Molecular Formula
C27 H40 N6 O4
Molecular Weight
512.64
Accurate Mass
512.3111
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)N
InChI
InChI=1S/C27H40N6O4/c1-27(2,3)22(26(37)33-15-17-10-7-11-18(17)21(33)23(28)34)32-25(36)20(16-8-5-4-6-9-16)31-24(35)19-14-29-12-13-30-19/h12-14,16-18,20-22H,4-11,15H2,1-3H3,(H2,28,34)(H,31,35)(H,32,36)/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-carboxamide
Storage & Transport Information
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Attributes
Product Type
Impurity
Product Format
Neat
Impurity Type
By-Product
API Family
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