ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[(cyanomethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2,6-dimethylphenyl)acetyl}phenylalaninate | C33H44N4O6

2-Methyl-2-propanyl N-{[(cyanomethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2,6-dimethylphenyl)acetyl}phenylalaninate

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID16500950

More details:

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

2-Methyl-2-propanyl N-{[(cyanomethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2,6-dimethylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[(cyanmethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](2,6-dimethylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[(Cyanométhyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl)amino]-2-(2,6-diméthylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[(cyanomethyl)[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]amino]-2-(2,6-dimethylphenyl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 734.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 398.2±35.7 °C
Index of Refraction: 1.546
Molar Refractivity: 167.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5566.71
ACD/KOC (pH 5.5): 16238.25
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 2702.31
ACD/KOC (pH 7.4): 7882.71
Polar Surface Area: 145 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 527.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement