ChemSpider 2D Image | 1-{N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-valyl}-4-piperidinecarboxylic acid | C28H32N4O6

1-{N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-valyl}-4-piperidinecarboxylic acid

  • Molecular FormulaC28H32N4O6
  • Average mass520.577 Da
  • Monoisotopic mass520.232178 Da
  • ChemSpider ID17469043

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-chinazolinyl)-3-phenylpropanoyl]-L-valyl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{N-[(2S)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-valyl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2S)-2-[[(2S)-2-(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]- [ACD/Index Name]
Acide 1-{N-[(2S)-2-(2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phénylpropanoyl]-L-valyl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-[(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylbutanoyl]piperidine-4-carboxylic acid
1-{N-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanoyl]-L-valyl}piperidine-4-carboxylic acid
956817-33-7 [RN]
MolPort-000-797-121
MolPort-002-530-743
STOCK1N-59275

    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: 1.603
    Molar Refractivity: 136.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 3.49
    ACD/LogD (pH 5.5): 1.96
    ACD/BCF (pH 5.5): 10.08
    ACD/KOC (pH 5.5): 90.74
    ACD/LogD (pH 7.4): 0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.43
    Polar Surface Area: 136 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 58.8±3.0 dyne/cm
    Molar Volume: 397.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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