ChemSpider 2D Image | N~2~-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-glutaminyl-L-isoleucine | C28H33N5O7

N2-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-glutaminyl-L-isoleucine

  • Molecular FormulaC28H33N5O7
  • Average mass551.591 Da
  • Monoisotopic mass551.237976 Da
  • ChemSpider ID17471686

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Isoleucine, N2-[(2S)-2-(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)-1-oxo-3-phenylpropyl]-L-glutaminyl- [ACD/Index Name]
N2-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-chinazolinyl)-3-phenylpropanoyl]-L-glutaminyl-L-isoleucin [German] [ACD/IUPAC Name]
N2-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-glutaminyl-L-isoleucine [ACD/IUPAC Name]
N2-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phénylpropanoyl]-L-glutaminyl-L-isoleucine [French] [ACD/IUPAC Name]
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
956937-90-9 [RN]
SPS-239290

    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: 1.596
    Molar Refractivity: 142.6±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): -0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.28
    ACD/LogD (pH 7.4): -1.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 188 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 60.3±3.0 dyne/cm
    Molar Volume: 419.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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