ChemSpider 2D Image | N-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]methyl}cyclohexyl)carbonyl]-D-alanine | C25H37N3O6

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

  • Molecular FormulaC25H37N3O6
  • Average mass475.578 Da
  • Monoisotopic mass475.268250 Da
  • ChemSpider ID22875508

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

D-Alanine, N-[[trans-4-[[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]cyclohexyl]carbonyl]- [ACD/Index Name]
N-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]methyl}cyclohexyl)carbonyl]-D-alanin [German] [ACD/IUPAC Name]
N-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]methyl}cyclohexyl)carbonyl]-D-alanine [ACD/IUPAC Name]
N-[(trans-4-{[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl)amino]méthyl}cyclohexyl)carbonyl]-D-alanine [French] [ACD/IUPAC Name]
1173663-91-6 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 761.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.4±3.0 kJ/mol
    Flash Point: 414.5±32.9 °C
    Index of Refraction: 1.534
    Molar Refractivity: 126.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 0.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.37
    ACD/LogD (pH 7.4): -0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 134 Å2
    Polarizability: 50.1±0.5 10-24cm3
    Surface Tension: 47.1±3.0 dyne/cm
    Molar Volume: 407.0±3.0 cm3

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