ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-O-Tert-Butyl-L-Seryl-N-{(2r)-5-Ethoxy-5-Oxo-1-[(3s)-2-Oxopyrrolidin-3-Yl]pentan-2-Yl}-L-Phenylalaninamide | C35H48N4O8

N-[(Benzyloxy)carbonyl]-O-Tert-Butyl-L-Seryl-N-{(2r)-5-Ethoxy-5-Oxo-1-[(3s)-2-Oxopyrrolidin-3-Yl]pentan-2-Yl}-L-Phenylalaninamide

  • Molecular FormulaC35H48N4O8
  • Average mass652.778 Da
  • Monoisotopic mass652.347229 Da
  • ChemSpider ID35035963

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-seryl-N-[(1R)-4-ethoxy-4-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]butyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-O-(2-methyl-2-propanyl)-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentanyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-O-(2-methyl-2-propanyl)-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentanyl}-L-phenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-O-(2-méthyl-2-propanyl)-L-séryl-N-{(2R)-5-éthoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentanyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-O-Tert-Butyl-L-Seryl-N-{(2r)-5-Ethoxy-5-Oxo-1-[(3s)-2-Oxopyrrolidin-3-Yl]pentan-2-Yl}-L-Phenylalaninamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 896.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 496.2±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 175.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 957.53
ACD/KOC (pH 5.5): 4737.04
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 956.38
ACD/KOC (pH 7.4): 4731.32
Polar Surface Area: 161 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 556.0±3.0 cm3

Click to predict properties on the Chemicalize site


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