ChemSpider 2D Image | N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}-L-valyl-L-tryptophan | C28H33N5O5

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

  • Molecular FormulaC28H33N5O5
  • Average mass519.592 Da
  • Monoisotopic mass519.248169 Da
  • ChemSpider ID17472140

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Tryptophan, N-[[(2S)-3,4-dihydro-2-(1-methylethyl)-3-oxo-1(2H)-quinoxalinyl]carbonyl]-L-valyl- [ACD/Index Name]
N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-chinoxalinyl]carbonyl}-L-valyl-L-tryptophan [German] [ACD/IUPAC Name]
N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}-L-valyl-L-tryptophan [ACD/IUPAC Name]
N-{[(2S)-2-Isopropyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}-L-valyl-L-tryptophane [French] [ACD/IUPAC Name]
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoyl]amino]propanoic acid
(S)-3-(1H-indol-3-yl)-2-((S)-2-((S)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-methylbutanamido)propanoic acid
956941-32-5 [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: 871.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.8±3.0 kJ/mol
    Flash Point: 481.1±34.3 °C
    Index of Refraction: 1.622
    Molar Refractivity: 141.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 1.03
    ACD/KOC (pH 5.5): 9.63
    ACD/LogD (pH 7.4): -0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 144 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 58.3±3.0 dyne/cm
    Molar Volume: 402.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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