ChemSpider 2D Image | N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}-L-phenylalanyl-L-glutamine | C26H31N5O6

N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}-L-phenylalanyl-L-glutamine

  • Molecular FormulaC26H31N5O6
  • Average mass509.554 Da
  • Monoisotopic mass509.227448 Da
  • ChemSpider ID17471909

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Glutamine, N-[[(2S)-3,4-dihydro-2-(1-methylethyl)-3-oxo-1(2H)-quinoxalinyl]carbonyl]-L-phenylalanyl- [ACD/Index Name]
N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-chinoxalinyl]carbonyl}-L-phenylalanyl-L-glutamin [German] [ACD/IUPAC Name]
N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}-L-phenylalanyl-L-glutamine [ACD/IUPAC Name]
N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}-L-phénylalanyl-L-glutamine [French] [ACD/IUPAC Name]
(2S)-5-amino-5-oxo-2-[[(2S)-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoic acid
(S)-5-amino-2-((S)-2-((S)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanamido)-5-oxopentanoic acid
956924-61-1 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 938.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 143.0±3.0 kJ/mol
    Flash Point: 521.3±34.3 °C
    Index of Refraction: 1.598
    Molar Refractivity: 133.1±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 6
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): -0.64
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.16
    ACD/LogD (pH 7.4): -2.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 171 Å2
    Polarizability: 52.8±0.5 10-24cm3
    Surface Tension: 59.2±3.0 dyne/cm
    Molar Volume: 390.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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