ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate | C34H49N3O7S

2-Methyl-2-propanyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate

  • Molecular FormulaC34H49N3O7S
  • Average mass643.834 Da
  • Monoisotopic mass643.329102 Da
  • ChemSpider ID16549340

More details:

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

2-Methyl-2-propanyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](2-hydroxy-3-methylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[sec-Butyl(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}cystéinyl)amino]-2-(2-hydroxy-3-méthylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-mercapto-1-oxopropyl](1-methylpropyl)amino]-2-(2-hydroxy-3-methylphenyl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.8±35.7 °C
Index of Refraction: 1.557
Molar Refractivity: 178.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 9.24
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23163.10
ACD/KOC (pH 5.5): 45775.10
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 9559.66
ACD/KOC (pH 7.4): 18891.88
Polar Surface Area: 180 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 552.9±7.0 cm3

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