ChemSpider 2D Image | (2S,3aS,6aS)-1-{2-[(4-Oxo-1-phenyl-3-heptanyl)amino]propanoyl}octahydrocyclopenta[b]pyrrole-2-carboxylic acid | C24H34N2O4

(2S,3aS,6aS)-1-{2-[(4-Oxo-1-phenyl-3-heptanyl)amino]propanoyl}octahydrocyclopenta[b]pyrrole-2-carboxylic acid

  • Molecular FormulaC24H34N2O4
  • Average mass414.538 Da
  • Monoisotopic mass414.251862 Da
  • ChemSpider ID29785355

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3aS,6aS)-1-{2-[(4-Oxo-1-phenyl-3-heptanyl)amino]propanoyl}octahydrocyclopenta[b]pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,3aS,6aS)-1-{2-[(4-Oxo-1-phenyl-3-heptanyl)amino]propanoyl}octahydrocyclopenta[b]pyrrole-2-carboxylic acid [ACD/IUPAC Name]
2173052-68-9 [RN]
Acide (2S,3aS,6aS)-1-{2-[(4-oxo-1-phényl-3-heptanyl)amino]propanoyl}octahydrocyclopenta[b]pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-1-[(2R)-1-oxo-2-[[(1R)-2-oxo-1-(2-phenylethyl)pentyl]amino]propyl]-, (2S,3aS,6aS)-
(2S,3aS,6aS)-1-((R)-2-(((R)-4-oxo-1-phenylheptan-3-yl)amino)propanoyl)octahydrocyclopenta[b]pyrrole-2-carboxylic acid
(2S,3aS,6aS)-1-{2-[(4-oxo-1-phenylheptan-3-yl)amino]propanoyl}octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name)
1-(N-[2-Oxo-1-(2-phenylethyl)pentyl]-d-alanyl)octahydrocyclopenta[b]pyrrole-2-carboxylic acid
1-[2-(2-Oxo-1-phenethyl-pentylamino)-propionyl]-octahydro-cyclopenta[b]pyrrole-2-carboxylic acid
1-{N-[2-oxo-1-(2-phenylethyl)pentyl]-D-alanyl}octahydrocyclopenta[b]pyrrole-2-carboxylic acid
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: 625.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±3.0 kJ/mol
    Flash Point: 331.9±31.5 °C
    Index of Refraction: 1.553
    Molar Refractivity: 114.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 1.13
    ACD/BCF (pH 5.5): 1.21
    ACD/KOC (pH 5.5): 9.11
    ACD/LogD (pH 7.4): -0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 48.7±3.0 dyne/cm
    Molar Volume: 357.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement