ChemSpider 2D Image | N-[(1S)-1-Cyano-2-phenylethyl]-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninamide | C23H27N3O3

N-[(1S)-1-Cyano-2-phenylethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninamide

  • Molecular FormulaC23H27N3O3
  • Average mass393.479 Da
  • Monoisotopic mass393.205231 Da
  • ChemSpider ID21379552

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-2-[[(1S)-1-cyano-2-phenylethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[(1S)-1-Cyan-2-phenylethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(1S)-1-Cyano-2-phenylethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninamide [ACD/IUPAC Name]
N-[(1S)-1-Cyano-2-phényléthyl]-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
1212136-72-5 [RN]
1820579-42-7 [RN]
MFCD09910411
tert-butyl (S)-1-((S)-1-cyano-2-phenylethylamino)- 1-oxo-3-phenylpropan-2-ylcarbamate
tert-Butyl ((S)-1-(((S)-1-cyano-2-phenylethyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
TERT-BUTYL (S)-1-((S)-1-CYANO-2-PHENYLETHYLAMINO)- 1-OXO-3-PHENYLPROPAN-2-YLCARBAMATE
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 646.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.4±3.0 kJ/mol
    Flash Point: 344.8±31.5 °C
    Index of Refraction: 1.557
    Molar Refractivity: 110.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 4.21
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 467.18
    ACD/KOC (pH 5.5): 2834.12
    ACD/LogD (pH 7.4): 3.82
    ACD/BCF (pH 7.4): 467.04
    ACD/KOC (pH 7.4): 2833.28
    Polar Surface Area: 91 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 343.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement