ChemSpider 2D Image | N-[(trans-4-{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]methyl}cyclohexyl)carbonyl]-D-leucine | C24H41N3O6

N-[(trans-4-{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]methyl}cyclohexyl)carbonyl]-D-leucine

  • Molecular FormulaC24H41N3O6
  • Average mass467.599 Da
  • Monoisotopic mass467.299530 Da
  • ChemSpider ID22883527

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

D-Leucine, N-[[trans-4-[[[[(2S)-1-[(1,1-dimethylethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]methyl]cyclohexyl]carbonyl]- [ACD/Index Name]
N-[(trans-4-{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]methyl}cyclohexyl)carbonyl]-D-leucin [German] [ACD/IUPAC Name]
N-[(trans-4-{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]methyl}cyclohexyl)carbonyl]-D-leucine [ACD/IUPAC Name]
N-[(trans-4-{[(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]méthyl}cyclohexyl)carbonyl]-D-leucine [French] [ACD/IUPAC Name]
1173666-95-9 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 701.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 111.9±6.0 kJ/mol
    Flash Point: 378.1±32.9 °C
    Index of Refraction: 1.514
    Molar Refractivity: 122.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): 0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.44
    ACD/LogD (pH 7.4): -1.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 125 Å2
    Polarizability: 48.7±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 407.5±3.0 cm3

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