ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S)-1-[(3S)-3-({1-cyclobutyl-4-[(2-{[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-3,3-dimethyl -1-oxo-2-butanyl}carbamate | C38H56N6O8

2-Methyl-2-propanyl {(2S)-1-[(3S)-3-({1-cyclobutyl-4-[(2-{[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-3,3-dimethyl -1-oxo-2-butanyl}carbamate

  • Molecular FormulaC38H56N6O8
  • Average mass724.887 Da
  • Monoisotopic mass724.415955 Da
  • ChemSpider ID13097788

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

{(2S)-1-[(3S)-3-({1-Cyclobutyl-4-[(2-{[(1R)-2-(diméthylamino)-2-oxo-1-phényléthyl]amino}-2-oxoéthyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-3,3-diméthyl-1-oxo-2-butanyl}car bamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-1-[(3S)-3-({1-cyclobutyl-4-[(2-{[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-3,3-dimethyl -1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-1-[(3S)-3-({1-cyclobutyl-4-[(2-{[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-3,3-dimethyl -1-oxo-2-butanyl}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: 1.553
Molar Refractivity: 191.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.79
ACD/KOC (pH 5.5): 984.83
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.67
ACD/KOC (pH 7.4): 983.67
Polar Surface Area: 183 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 599.7±3.0 cm3

Click to predict properties on the Chemicalize site


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