ChemSpider 2D Image | 2-Methyl-2-propanyl [(1S)-2-[(3aR,4S,6aR)-4-({1-cyclobutyl-4-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2,2-dimethylhexahydro-5H-furo[2,3- c]pyrrol-5-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]carbamate | C43H64N6O9

2-Methyl-2-propanyl [(1S)-2-[(3aR,4S,6aR)-4-({1-cyclobutyl-4-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2,2-dimethylhexahydro-5H-furo[2,3- c]pyrrol-5-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]carbamate

  • Molecular FormulaC43H64N6O9
  • Average mass809.003 Da
  • Monoisotopic mass808.473450 Da
  • ChemSpider ID8435268

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

[(1S)-2-[(3aR,4S,6aR)-4-({1-Cyclobutyl-4-[(2-{[(1S)-2-(diméthylamino)-2-oxo-1-phényléthyl]amino}-2-oxoéthyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2,2-diméthylhexahydro-5H-furo[2,3-c]pyrrol-5-yl]-1-(1- méthylcyclohexyl)-2-oxoéthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1S)-2-[(3aR,4S,6aR)-4-({1-cyclobutyl-4-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2,2-dimethylhexahydro-5H-furo[2,3- c]pyrrol-5-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S)-2-[(3aR,4S,6aR)-4-({1-cyclobutyl-4-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-2,2-dimethylhexahydro-5H-furo[2,3- c]pyrrol-5-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[(3aR,4S,6aR)-4-[(10S)-3-(cyclobutylmethyl)-12-methyl-1,4,5,8,11-pentaoxo-10-phenyl-2,6,9,12-tetraazatridec-1-yl]hexahydro-2,2-dimethyl-5H-furo[2,3-c]pyrrol-5-yl]-1-(1-methylc yclohexyl)-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 1.544
Molar Refractivity: 214.6±0.3 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2564.62
ACD/KOC (pH 5.5): 9582.85
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2561.40
ACD/KOC (pH 7.4): 9570.80
Polar Surface Area: 193 Å2
Polarizability: 85.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 679.3±3.0 cm3

Click to predict properties on the Chemicalize site


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