ChemSpider 2D Image | Methyl N-({(1R)-3-methyl-1-[(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]butyl}carbamoyl)phenylalaninate | C26H40N4O6

Methyl N-({(1R)-3-methyl-1-[(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]butyl}carbamoyl)phenylalaninate

  • Molecular FormulaC26H40N4O6
  • Average mass504.619 Da
  • Monoisotopic mass504.294800 Da
  • ChemSpider ID30653417

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Methyl N-({(1R)-3-methyl-1-[(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]butyl}carbamoyl)phenylalaninate [ACD/IUPAC Name]
Methyl-N-({(1R)-3-methyl-1-[(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]butyl}carbamoyl)phenylalaninat [German] [ACD/IUPAC Name]
N-({(1R)-3-Méthyl-1-[(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-prolyl)amino]butyl}carbamoyl)phénylalaninate de méthyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[[[(1R)-1-[[[(2S)-1-[(1,1-dimethylethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]-3-methylbutyl]amino]carbonyl]-, methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.54
ACD/KOC (pH 5.5): 1307.58
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.49
ACD/KOC (pH 7.4): 1307.13
Polar Surface Area: 126 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 435.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement