ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-histidyl-L-prolinamide | C16H25N5O4

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-histidyl-L-prolinamide

  • Molecular FormulaC16H25N5O4
  • Average mass351.401 Da
  • Monoisotopic mass351.190643 Da
  • ChemSpider ID28426202

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-histidyl- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-histidyl-L-prolinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-histidyl-L-prolinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-histidyl-L-prolinamide [French] [ACD/IUPAC Name]
29133-55-9 [RN]
MFCD17676139 [MDL number]
N-(tert-Butoxycarbonyl)-L-histidyl-L-prolinamide
N-α.-(tert-Butoxycarbonyl)-L-histidyl-L-prolinamide
tert-Butyl ((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamate
TERT-BUTYL N-[(2S)-1-[(2S)-2-CARBAMOYLPYRROLIDIN-1-YL]-3-(1H-IMIDAZOL-4-YL)-1-OXOPROPAN-2-YL]CARBAMATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 715.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.6±3.0 kJ/mol
    Flash Point: 386.8±32.9 °C
    Index of Refraction: 1.568
    Molar Refractivity: 89.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: -0.21
    ACD/LogD (pH 5.5): -1.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.32
    ACD/LogD (pH 7.4): 0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 24.27
    Polar Surface Area: 130 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 61.0±3.0 dyne/cm
    Molar Volume: 273.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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