ChemSpider 2D Image | 1-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]methyl}cyclohexyl)carbonyl]-L-proline | C24H41N3O6

1-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]methyl}cyclohexyl)carbonyl]-L-proline

  • Molecular FormulaC24H41N3O6
  • Average mass467.599 Da
  • Monoisotopic mass467.299530 Da
  • ChemSpider ID22875537

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]methyl}cyclohexyl)carbonyl]-L-prolin [German] [ACD/IUPAC Name]
1-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]methyl}cyclohexyl)carbonyl]-L-proline [ACD/IUPAC Name]
1-[(trans-4-{[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-leucyl)amino]méthyl}cyclohexyl)carbonyl]-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[[trans-4-[[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-1-oxopentyl]amino]methyl]cyclohexyl]carbonyl]- [ACD/Index Name]
1173667-76-9 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 695.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.7 mmHg at 25°C
    Enthalpy of Vaporization: 111.0±6.0 kJ/mol
    Flash Point: 374.4±30.1 °C
    Index of Refraction: 1.515
    Molar Refractivity: 122.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): 0.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.24
    ACD/LogD (pH 7.4): -1.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 125 Å2
    Polarizability: 48.7±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 407.5±3.0 cm3

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