ChemSpider 2D Image | VRT-127394 | C36H53N7O6

VRT-127394

  • Molecular FormulaC36H53N7O6
  • Average mass679.849 Da
  • Monoisotopic mass679.405762 Da
  • ChemSpider ID13082928

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3R)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]octahydrocyclopenta[c]pyrrol-1-carboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3R)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]octahydrocyclopenta[c]pyrrole-1-carboxamid e [ACD/IUPAC Name]
(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acétyl}amino)-3,3-diméthylbutanoyl]-N-[(3R)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]octahydrocyclopenta[c]pyrrole-1-carboxamid e [French] [ACD/IUPAC Name]
923270-50-2 [RN]
VRT-127394
(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
(R)-Telaprevir
Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]butyl]octahydro-, (1S,3aR,6aS)-
Telaprevir, (R)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

52YTW6K39W [DBID]
UNII:52YTW6K39W [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 181.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.94
ACD/KOC (pH 5.5): 1315.00
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.94
ACD/KOC (pH 7.4): 1314.96
Polar Surface Area: 180 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 542.0±5.0 cm3

Click to predict properties on the Chemicalize site


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