ChemSpider 2D Image | Ethyl N-{(3,4-dimethylphenyl)[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino]acetyl}-beta-alaninate | C30H49N3O6S

Ethyl N-{(3,4-dimethylphenyl)[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino]acetyl}-β-alaninate

  • Molecular FormulaC30H49N3O6S
  • Average mass579.792 Da
  • Monoisotopic mass579.334229 Da
  • ChemSpider ID16521456

More details:

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

Ethyl N-{(3,4-dimethylphenyl)[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino]acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{(3,4-dimethylphenyl)[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino]acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-(3,4-Diméthylphényl)-2-[(2-méthyl-2-butanyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}méthionyl)amino]acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylthio)-1-oxobutyl](1,1-dimethylpropyl)amino]-2-(3,4-dimethylphenyl)acetyl]-, ethyl 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: 701.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.0±35.7 °C
Index of Refraction: 1.527
Molar Refractivity: 161.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 2529.27
ACD/KOC (pH 5.5): 6251.45
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 2067.12
ACD/KOC (pH 7.4): 5109.17
Polar Surface Area: 146 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 37.2±7.0 dyne/cm
Molar Volume: 525.1±7.0 cm3

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