ChemSpider 2D Image | 1-[(1-{[(4S)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-proline | C26H35N3O6S

1-[(1-{[(4S)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-proline

  • Molecular FormulaC26H35N3O6S
  • Average mass517.638 Da
  • Monoisotopic mass517.224670 Da
  • ChemSpider ID17470559

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(1-{[(4S)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-prolin [German] [ACD/IUPAC Name]
1-[(1-{[(4S)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-proline [ACD/IUPAC Name]
1-[(1-{[(4S)-3-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}-4-phényl-4-pipéridinyl)carbonyl]-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[[1-[[(4S)-3-[(1,1-dimethylethoxy)carbonyl]-4-thiazolidinyl]carbonyl]-4-phenyl-4-piperidinyl]carbonyl]- [ACD/Index Name]
(2S)-1-[1-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carbonyl]-4-phenylpiperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
(S)-1-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
956908-50-2 [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: 747.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.3±3.0 kJ/mol
    Flash Point: 405.7±32.9 °C
    Index of Refraction: 1.601
    Molar Refractivity: 134.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 2.12
    ACD/LogD (pH 5.5): 0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.20
    ACD/LogD (pH 7.4): -0.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 133 Å2
    Polarizability: 53.4±0.5 10-24cm3
    Surface Tension: 60.0±3.0 dyne/cm
    Molar Volume: 393.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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