ChemSpider 2D Image | N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-valyl-L-methionine | C27H32N4O6S

N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-valyl-L-methionine

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID17469687

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Methionine, N-[(2S)-2-(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)-1-oxo-3-phenylpropyl]-L-valyl- [ACD/Index Name]
N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-chinazolinyl)-3-phenylpropanoyl]-L-valyl-L-methionin [German] [ACD/IUPAC Name]
N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-valyl-L-methionine [ACD/IUPAC Name]
N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phénylpropanoyl]-L-valyl-L-méthionine [French] [ACD/IUPAC Name]
(2S)-2-[[(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
956919-54-3 [RN]
N-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanoyl]-L-valyl-L-methionine

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.601
    Molar Refractivity: 142.4±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 4.13
    ACD/LogD (pH 5.5): 0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.35
    ACD/LogD (pH 7.4): -0.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 170 Å2
    Polarizability: 56.4±0.5 10-24cm3
    Surface Tension: 57.6±3.0 dyne/cm
    Molar Volume: 415.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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