ChemSpider 2D Image | N-(Tert-Butoxycarbonyl)-O-Tert-Butyl-L-Threonyl-N-{(2r)-5-Ethoxy-5-Oxo-1-[(3s)-2-Oxopyrrolidin-3-Yl]pentan-2-Yl}-L-Phenylalaninamide | C33H52N4O8

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

  • Molecular FormulaC33H52N4O8
  • Average mass632.788 Da
  • Monoisotopic mass632.378540 Da
  • ChemSpider ID35035964

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-threonyl-N-[(1R)-4-ethoxy-4-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]butyl]- [ACD/Index Name]
N-(Tert-Butoxycarbonyl)-O-Tert-Butyl-L-Threonyl-N-{(2r)-5-Ethoxy-5-Oxo-1-[(3s)-2-Oxopyrrolidin-3-Yl]pentan-2-Yl}-L-Phenylalaninamide
O-(2-Methyl-2-propanyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentanyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
O-(2-Methyl-2-propanyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentanyl}-L-phenylalaninamide [ACD/IUPAC Name]
O-(2-Méthyl-2-propanyl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-thréonyl-N-{(2R)-5-éthoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentanyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 846.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 465.6±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 467.51
ACD/KOC (pH 5.5): 2835.54
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 467.18
ACD/KOC (pH 7.4): 2833.54
Polar Surface Area: 161 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 561.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement