ChemSpider 2D Image | Nalpha-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-N-(1-phenylethyl)-L-tryptophanamide | C32H41N5O5

Nα-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-N-(1-phenylethyl)-L-tryptophanamide

  • Molecular FormulaC32H41N5O5
  • Average mass575.698 Da
  • Monoisotopic mass575.310791 Da
  • ChemSpider ID17465910

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[2-[4-[[[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-[(1-phenylethyl)amino]ethyl]amino]carbonyl]-1-piperidinyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Nα-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-N-(1-phenylethyl)-L-tryptophanamid [German] [ACD/IUPAC Name]
Nα-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-N-(1-phenylethyl)-L-tryptophanamide [ACD/IUPAC Name]
Nα-{[1-(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}glycyl)-4-pipéridinyl]carbonyl}-N-(1-phényléthyl)-L-tryptophaneamide [French] [ACD/IUPAC Name]
956958-25-1 [RN]
MCULE-6479989627
MolPort-000-791-130
STOCK1N-48493
TERT-BUTYL N-[2-(4-{[(1S)-2-(1H-INDOL-3-YL)-1-[(1-PHENYLETHYL)CARBAMOYL]ETHYL]CARBAMOYL}PIPERIDIN-1-YL)-2-OXOETHYL]CARBAMATE
tert-butyl N-[2-[4-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamoyl]piperidin-1-yl]-2-oxoethyl]carbamate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 893.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 130.0±3.0 kJ/mol
    Flash Point: 494.4±34.3 °C
    Index of Refraction: 1.598
    Molar Refractivity: 160.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 208.68
    ACD/KOC (pH 5.5): 1590.81
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 208.68
    ACD/KOC (pH 7.4): 1590.75
    Polar Surface Area: 133 Å2
    Polarizability: 63.6±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 470.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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