ChemSpider 2D Image | 4-{[(2S,4S)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoic acid | C24H29NO5

4-{[(2S,4S)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC24H29NO5
  • Average mass411.491 Da
  • Monoisotopic mass411.204559 Da
  • ChemSpider ID58790223

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, α-ethyl ester, (αS,γS)- [ACD/Index Name]
149709-63-7 [RN]
4-{[(2S,4S)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(2S,4S)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(2S,4S)-1-(4-biphénylyl)-5-éthoxy-4-méthyl-5-oxo-2-pentanyl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
(2S,4S)-Sacubitril
1379310-59-4 [RN]
3-{[(2S,4S)-1-{[1,1'-biphenyl]-4-yl}-5-ethoxy-4-methyl-5-oxopentan-2-yl]carbamoyl}propanoic acid
4-(((2S,4S)-1-([1,1'-Biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid
766480-48-2 [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 656.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.6±3.0 kJ/mol
    Flash Point: 351.1±31.5 °C
    Index of Refraction: 1.549
    Molar Refractivity: 113.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 65.95
    ACD/KOC (pH 5.5): 366.69
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 5.76
    Polar Surface Area: 93 Å2
    Polarizability: 45.0±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 357.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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