ChemSpider 2D Image | N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl-5-oxo-L-proline | C20H26N2O6

N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl-5-oxo-L-proline

  • Molecular FormulaC20H26N2O6
  • Average mass390.430 Da
  • Monoisotopic mass390.179077 Da
  • ChemSpider ID18546217

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Proline, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-5-oxo- [ACD/Index Name]
N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl-5-oxo-L-prolin [German] [ACD/IUPAC Name]
N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl-5-oxo-L-proline [ACD/IUPAC Name]
N-[(2S)-1-Éthoxy-1-oxo-4-phényl-2-butanyl]-L-alanyl-5-oxo-L-proline [French] [ACD/IUPAC Name]
(2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-5-oxopyrrolidine-2-carboxylic acid
1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-5-oxo-pyrrolidine-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290244/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 316.8±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 309.1±3.0 cm3

Click to predict properties on the Chemicalize site


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