ChemSpider 2D Image | 2-Methyl-2-propanyl {(1S)-1-cyclopentyl-2-[(1R,2S,5S)-2-({1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex -3-yl]-2-oxoethyl}carbamate | C38H56N6O8

2-Methyl-2-propanyl {(1S)-1-cyclopentyl-2-[(1R,2S,5S)-2-({1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex -3-yl]-2-oxoethyl}carbamate

  • Molecular FormulaC38H56N6O8
  • Average mass724.887 Da
  • Monoisotopic mass724.415955 Da
  • ChemSpider ID8254143

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

{(1S)-1-Cyclopentyl-2-[(1R,2S,5S)-2-({1-[(2-{[(1S)-2-(diméthylamino)-2-oxo-1-phényléthyl]amino}-2-oxoéthyl)amino]-1,2-dioxo-3-hexanyl}carbamoyl)-6,6-diméthyl-3-azabicyclo[3.1.0]hex-3-yl]-2-oxoéthyl}ca rbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(1S)-1-cyclopentyl-2-[(1R,2S,5S)-2-({1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex -3-yl]-2-oxoethyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(1S)-1-cyclopentyl-2-[(1R,2S,5S)-2-({1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex -3-yl]-2-oxoethyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-cyclopentyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[(10S)-12-methyl-1,4,5,8,11-pentaoxo-10-phenyl-3-propyl-2,6,9,12-tetraazatridec-1-yl]-3-azabicyclo[3.1.0]hex-3-yl]-2-oxoethyl]-, 1,1-d imethylethyl 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: 1.550
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: 3.92
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.14
ACD/KOC (pH 5.5): 1560.43
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.89
ACD/KOC (pH 7.4): 1558.54
Polar Surface Area: 183 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 602.7±3.0 cm3

Click to predict properties on the Chemicalize site


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