ChemSpider 2D Image | 2-Methyl-2-propanyl N-{(4-hydroxy-3-methylphenyl)[(2-methyl-2-propanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino]acetyl}phenylalaninate | C34H49N3O7S

2-Methyl-2-propanyl N-{(4-hydroxy-3-methylphenyl)[(2-methyl-2-propanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino]acetyl}phenylalaninate

  • Molecular FormulaC34H49N3O7S
  • Average mass643.834 Da
  • Monoisotopic mass643.329102 Da
  • ChemSpider ID16548860

More details:

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

2-Methyl-2-propanyl N-{(4-hydroxy-3-methylphenyl)[(2-methyl-2-propanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino]acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{(4-hydroxy-3-methylphenyl)[(2-methyl-2-propanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino]acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-(4-Hydroxy-3-méthylphényl)-2-[(2-méthyl-2-propanyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}cystéinyl)amino]acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-mercapto-1-oxopropyl](1,1-dimethylethyl)amino]-2-(4-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: 744.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.2±35.7 °C
Index of Refraction: 1.553
Molar Refractivity: 178.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 21906.80
ACD/KOC (pH 5.5): 43947.52
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 9645.95
ACD/KOC (pH 7.4): 19350.86
Polar Surface Area: 180 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 557.4±7.0 cm3

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