ChemSpider 2D Image | N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-leucyl-L-phenylalanine | C32H43N3O6

N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-leucyl-L-phenylalanine

  • Molecular FormulaC32H43N3O6
  • Average mass565.700 Da
  • Monoisotopic mass565.315186 Da
  • ChemSpider ID17470705

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalanine, N-[[1-[(1,1-dimethylethoxy)carbonyl]-4-phenyl-4-piperidinyl]carbonyl]-L-leucyl- [ACD/Index Name]
N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-leucyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-leucyl-L-phenylalanine [ACD/IUPAC Name]
N-[(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-phényl-4-pipéridinyl)carbonyl]-L-leucyl-L-phénylalanine [French] [ACD/IUPAC Name]
(2S)-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
957023-86-8 [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: 780.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 119.2±3.0 kJ/mol
    Flash Point: 425.9±32.9 °C
    Index of Refraction: 1.557
    Molar Refractivity: 155.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.53
    ACD/LogD (pH 5.5): 2.58
    ACD/BCF (pH 5.5): 14.86
    ACD/KOC (pH 5.5): 52.10
    ACD/LogD (pH 7.4): 1.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.64
    Polar Surface Area: 125 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 49.3±3.0 dyne/cm
    Molar Volume: 481.8±3.0 cm3

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