ChemSpider 2D Image | Methyl N-[4-(2-methyl-2-propanyl)benzoyl]phenylalanylmethioninate | C26H34N2O4S

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

  • Molecular FormulaC26H34N2O4S
  • Average mass470.624 Da
  • Monoisotopic mass470.223938 Da
  • ChemSpider ID25957679

More details:

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

Methionine, N-[4-(1,1-dimethylethyl)benzoyl]phenylalanyl-, methyl ester [ACD/Index Name]
Methyl N-[4-(2-methyl-2-propanyl)benzoyl]phenylalanylmethioninate [ACD/IUPAC Name]
MethylN-[4-(2-methyl-2-propanyl)benzoyl]phenylalanylmethioninat [German] [ACD/IUPAC Name]
N-[4-(2-Méthyl-2-propanyl)benzoyl]phénylalanylméthioninate de méthyle [French] [ACD/IUPAC Name]
methyl 2-(2-(4-(tert-butyl)benzamido)-3-phenylpropanamido)-4-(methylthio)butanoate
methyl 2-{2-[(4-tert-butylphenyl)formamido]-3-phenylpropanamido}-4-(methylsulfanyl)butanoate
methyl N-[(4-tert-butylphenyl)carbonyl]phenylalanylmethioninate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 687.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.3±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4604.56
ACD/KOC (pH 5.5): 14578.18
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4604.55
ACD/KOC (pH 7.4): 14578.12
Polar Surface Area: 110 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 413.4±3.0 cm3

Click to predict properties on the Chemicalize site


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