ChemSpider 2D Image | (1S,3aR,6aS)-6a-(Aminoacetyl)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-cyclohexyl-N-[1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-N-(2-pyrazinylcarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxamide | C36H53N7O6

(1S,3aR,6aS)-6a-(Aminoacetyl)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-cyclohexyl-N-[1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-N-(2-pyrazinylcarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxamide

  • Molecular FormulaC36H53N7O6
  • Average mass679.849 Da
  • Monoisotopic mass679.405762 Da
  • ChemSpider ID29303223

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,3aR,6aS)-6a-(2-Aminoacétyl)-1-[(2S)-2-amino-3,3-diméthylbutanoyl]-2-cyclohexyl-N-[1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-N-(2-pyrazinylcarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxamide [French] [ACD/IUPAC Name]
(1S,3aR,6aS)-6a-(Aminoacetyl)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-cyclohexyl-N-[1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-N-(2-pyrazinylcarbonyl)octahydrocyclopenta[c]pyrrol-1-carboxamid [German] [ACD/IUPAC Name]
(1S,3aR,6aS)-6a-(Aminoacetyl)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-cyclohexyl-N-[1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]-N-(2-pyrazinylcarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxamide [ACD/IUPAC Name]
Cyclopenta[c]pyrrole-1-carboxamide, 6a-(2-aminoacetyl)-1-[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-2-cyclohexyl-N-[1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]octahydro-N-(2-pyrazinylcarbonyl)-, (1S,3aR ,6aS)- [ACD/Index Name]
402957-28-2 [RN]
VX950

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: 1.599
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.53
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 27.91
ACD/KOC (pH 7.4): 225.34
Polar Surface Area: 199 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 531.9±5.0 cm3

Click to predict properties on the Chemicalize site


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