ChemSpider 2D Image | N-{[1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl)-4-phenyl-4-piperidinyl]carbonyl}-D-threonine | C26H37N3O7

N-{[1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl)-4-phenyl-4-piperidinyl]carbonyl}-D-threonine

  • Molecular FormulaC26H37N3O7
  • Average mass503.588 Da
  • Monoisotopic mass503.263153 Da
  • ChemSpider ID17469005

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-Pyrrolidinecarboxylic acid, 2-[[4-[[[(1R)-1-carboxy-2-hydroxypropyl]amino]carbonyl]-4-phenyl-1-piperidinyl]carbonyl]-, 1-(1,1-dimethylethyl) ester, (2S)- [ACD/Index Name]
N-{[1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl)-4-phenyl-4-piperidinyl]carbonyl}-D-threonin [German] [ACD/IUPAC Name]
N-{[1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl)-4-phenyl-4-piperidinyl]carbonyl}-D-threonine [ACD/IUPAC Name]
N-{[1-(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-prolyl)-4-phényl-4-pipéridinyl]carbonyl}-D-thréonine [French] [ACD/IUPAC Name]
(2R)-2-(1-((S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carbonyl)-4-phenylpiperidine-4-carboxamido)-3-hydroxybutanoic acid
(2R)-3-hydroxy-2-[[1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanoic acid
956976-23-1 [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: 751.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.9±3.0 kJ/mol
    Flash Point: 408.4±32.9 °C
    Index of Refraction: 1.569
    Molar Refractivity: 130.1±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 1.16
    ACD/LogD (pH 5.5): -0.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 136 Å2
    Polarizability: 51.6±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 396.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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