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

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

  • Molecular FormulaC26H37N3O7
  • Average mass503.588 Da
  • Monoisotopic mass503.263153 Da
  • ChemSpider ID17470936

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-prolyl-L-threonin [German] [ACD/IUPAC Name]
1-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-prolyl-L-threonine [ACD/IUPAC Name]
1-[(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-phényl-4-pipéridinyl)carbonyl]-L-prolyl-L-thréonine [French] [ACD/IUPAC Name]
L-Threonine, 1-[[1-[(1,1-dimethylethoxy)carbonyl]-4-phenyl-4-piperidinyl]carbonyl]-L-prolyl- [ACD/Index Name]
(2S)-2-((S)-1-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamido)-3-hydroxybutanoic acid
(2S)-3-hydroxy-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid
956823-48-6 [RN]
MolPort-002-533-608
STOCK1N-65549

    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: 1.69
    ACD/LogD (pH 5.5): -0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.60
    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

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