ChemSpider 2D Image | N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-leucyl-D-valine | C28H34N4O6

N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-leucyl-D-valine

  • Molecular FormulaC28H34N4O6
  • Average mass522.593 Da
  • Monoisotopic mass522.247864 Da
  • ChemSpider ID17469171

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Valine, N-[(2S)-2-(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)-1-oxo-3-phenylpropyl]-L-leucyl- [ACD/Index Name]
N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-chinazolinyl)-3-phenylpropanoyl]-L-leucyl-D-valin [German] [ACD/IUPAC Name]
N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-leucyl-D-valine [ACD/IUPAC Name]
N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phénylpropanoyl]-L-leucyl-D-valine [French] [ACD/IUPAC Name]
(2R)-2-[[(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
1173660-16-6 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.578
    Molar Refractivity: 139.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 4.67
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 1.01
    ACD/KOC (pH 5.5): 7.50
    ACD/LogD (pH 7.4): -0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 145 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 418.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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