ChemSpider 2D Image | N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-4-piperidinyl]carbonyl}-L-valine | C25H37N3O6

N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-4-piperidinyl]carbonyl}-L-valine

  • Molecular FormulaC25H37N3O6
  • Average mass475.578 Da
  • Monoisotopic mass475.268250 Da
  • ChemSpider ID22870115

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Valine, N-[[1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]-4-piperidinyl]carbonyl]- [ACD/Index Name]
N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-4-piperidinyl]carbonyl}-L-valin [German] [ACD/IUPAC Name]
N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-4-piperidinyl]carbonyl}-L-valine [ACD/IUPAC Name]
N-{[1-(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl)-4-pipéridinyl]carbonyl}-L-valine [French] [ACD/IUPAC Name]
(2S)-3-methyl-2-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]piperidine-4-carbonyl]amino]butanoic acid
(S)-2-(1-((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)piperidine-4-carboxamido)-3-methylbutanoic acid
1013869-32-3 [RN]
2-{[1-(2-tert-Butoxycarbonylamino-3-phenyl-propionyl)-piperidine-4-carbonyl]-amino}-3-methyl-butyric acid
N-({1-[N-(tert-butoxycarbonyl)-L-phenylalanyl]piperidin-4-yl}carbonyl)-L-valine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 730.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.8±3.0 kJ/mol
    Flash Point: 395.3±32.9 °C
    Index of Refraction: 1.539
    Molar Refractivity: 126.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.25
    ACD/LogD (pH 7.4): -0.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 125 Å2
    Polarizability: 50.0±0.5 10-24cm3
    Surface Tension: 48.8±3.0 dyne/cm
    Molar Volume: 402.7±3.0 cm3

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