ChemSpider 2D Image | Methyl N-[4-(2-methyl-2-propanyl)benzoyl]leucylphenylalaninate | C27H36N2O4

Methyl N-[4-(2-methyl-2-propanyl)benzoyl]leucylphenylalaninate

  • Molecular FormulaC27H36N2O4
  • Average mass452.586 Da
  • Monoisotopic mass452.267517 Da
  • ChemSpider ID25957630

More details:

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

Methyl N-[4-(2-methyl-2-propanyl)benzoyl]leucylphenylalaninate [ACD/IUPAC Name]
MethylN-[4-(2-methyl-2-propanyl)benzoyl]leucylphenylalaninat [German] [ACD/IUPAC Name]
N-[4-(2-Méthyl-2-propanyl)benzoyl]leucylphénylalaninate de méthyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[4-(1,1-dimethylethyl)benzoyl]leucyl-, methyl ester [ACD/Index Name]
methyl 2-(2-(4-(tert-butyl)benzamido)-4-methylpentanamido)-3-phenylpropanoate
methyl 2-{2-[(4-tert-butylphenyl)formamido]-4-methylpentanamido}-3-phenylpropanoate
methyl N-[(4-tert-butylphenyl)carbonyl]leucylphenylalaninate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 632.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5214.51
ACD/KOC (pH 5.5): 15935.80
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5214.49
ACD/KOC (pH 7.4): 15935.75
Polar Surface Area: 85 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 416.3±3.0 cm3

Click to predict properties on the Chemicalize site


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