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Search term: JAAUQGRJABJHFN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | trans-4-({[(2S)-2-({[(4R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}amino)-2-phenylacetyl]amino}methyl)cyclohexanecarboxylic acid | C25H35N3O6S

trans-4-({[(2S)-2-({[(4R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}amino)-2-phenylacetyl]amino}methyl)cyclohexanecarboxylic acid

  • Molecular FormulaC25H35N3O6S
  • Average mass505.627 Da
  • Monoisotopic mass505.224670 Da
  • ChemSpider ID22883145

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-Thiazolidinecarboxylic acid, 4-[[[(1S)-2-[[(trans-4-carboxycyclohexyl)methyl]amino]-2-oxo-1-phenylethyl]amino]carbonyl]-, 3-(1,1-dimethylethyl) ester, (4R)- [ACD/Index Name]
Acide trans-4-({[(2S)-2-({[(4R)-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}amino)-2-phénylacétyl]amino}méthyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
trans-4-({[(2S)-2-({[(4R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}amino)-2-phenylacetyl]amino}methyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-({[(2S)-2-({[(4R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-yl]carbonyl}amino)-2-phenylacetyl]amino}methyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
1173682-09-1 [RN]
trans-4-({[(2S)-2-({[(4R)-3-(tert-butoxycarbonyl)-1,3-thiazolidin-4-yl]carbonyl}amino)-2-phenylacetyl]amino}methyl)cyclohexanecarboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 789.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.4±3.0 kJ/mol
    Flash Point: 431.0±32.9 °C
    Index of Refraction: 1.573
    Molar Refractivity: 132.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 13.92
    ACD/KOC (pH 5.5): 139.27
    ACD/LogD (pH 7.4): 0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.26
    Polar Surface Area: 150 Å2
    Polarizability: 52.5±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 401.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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