ChemSpider 2D Image | Phenyl [(1S)-2-({(2S)-1-[(2S)-2-{[4-(allylamino)-1-cyclopropyl-3,4-dioxo-2-butanyl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}amino)-1-(1-methylcyclohexyl)-2-oxo ethyl]carbamate | C40H57N5O7

Phenyl [(1S)-2-({(2S)-1-[(2S)-2-{[4-(allylamino)-1-cyclopropyl-3,4-dioxo-2-butanyl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}amino)-1-(1-methylcyclohexyl)-2-oxo ethyl]carbamate

  • Molecular FormulaC40H57N5O7
  • Average mass719.910 Da
  • Monoisotopic mass719.425781 Da
  • ChemSpider ID9414576

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

[(1S)-2-({(2S)-1-[(2S)-2-{[4-(Allylamino)-1-cyclopropyl-3,4-dioxo-2-butanyl]carbamoyl}-6,6-diméthyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-diméthyl-1-oxo-2-butanyl}amino)-1-(1-méthylcyclohexyl)-2-oxoéthyl]c arbamate de phényle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[(1S)-1-[[(2S)-2-[[[1-(cyclopropylmethyl)-2,3-dioxo-3-(2-propen-1-ylamino)propyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl]-2,2-dimethylpropyl]amino]- 1-(1-methylcyclohexyl)-2-oxoethyl]-, phenyl ester [ACD/Index Name]
Phenyl [(1S)-2-({(2S)-1-[(2S)-2-{[4-(allylamino)-1-cyclopropyl-3,4-dioxo-2-butanyl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}amino)-1-(1-methylcyclohexyl)-2-oxo ethyl]carbamate [ACD/IUPAC Name]
Phenyl-[(1S)-2-({(2S)-1-[(2S)-2-{[4-(allylamino)-1-cyclopropyl-3,4-dioxo-2-butanyl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}amino)-1-(1-methylcyclohexyl)-2-oxo ethyl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.552
Molar Refractivity: 195.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10159.88
ACD/KOC (pH 5.5): 25670.56
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10115.00
ACD/KOC (pH 7.4): 25557.16
Polar Surface Area: 163 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 610.3±3.0 cm3

Click to predict properties on the Chemicalize site


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