ChemSpider 2D Image | 2-Methyl-2-propanyl N-({(2S)-1-[(2S,5S)-2-({1-cyclopropyl-3,4-dioxo-4-[(2-phenylethyl)amino]-2-butanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamoyl)-3-me thyl-L-valinate | C40H61N5O7

2-Methyl-2-propanyl N-({(2S)-1-[(2S,5S)-2-({1-cyclopropyl-3,4-dioxo-4-[(2-phenylethyl)amino]-2-butanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamoyl)-3-me thyl-L-valinate

  • Molecular FormulaC40H61N5O7
  • Average mass723.942 Da
  • Monoisotopic mass723.457092 Da
  • ChemSpider ID34551492

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-({(2S)-1-[(2S,5S)-2-({1-cyclopropyl-3,4-dioxo-4-[(2-phenylethyl)amino]-2-butanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamoyl)-3-me thyl-L-valinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-({(2S)-1-[(2S,5S)-2-({1-cyclopropyl-3,4-dioxo-4-[(2-phenylethyl)amino]-2-butanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamoyl)-3-me thyl-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[[[(1S)-1-[[(2S,5S)-2-[[[1-(cyclopropylmethyl)-2,3-dioxo-3-[(2-phenylethyl)amino]propyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl]-2,2-dimethylpropyl]amino]carbonyl ]-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
N-({(2S)-1-[(2S,5S)-2-({1-Cyclopropyl-3,4-dioxo-4-[(2-phényléthyl)amino]-2-butanyl}carbamoyl)-6,6-diméthyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-diméthyl-1-oxo-2-butanyl}carbamoyl)-3-méthyl-L-valinate de 2 -méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.538
Molar Refractivity: 197.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12019.11
ACD/KOC (pH 5.5): 28952.31
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12018.33
ACD/KOC (pH 7.4): 28950.44
Polar Surface Area: 163 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 630.9±3.0 cm3

Click to predict properties on the Chemicalize site


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