ChemSpider 2D Image | Ethyl N-{[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](3-vinylphenyl)acetyl}-beta-alaninate | C30H47N3O6S

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

  • Molecular FormulaC30H47N3O6S
  • Average mass577.776 Da
  • Monoisotopic mass577.318542 Da
  • ChemSpider ID16521366

More details:

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

Ethyl N-{[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](3-vinylphenyl)acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[(2-methyl-2-butanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino](3-vinylphenyl)acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-[(2-Méthyl-2-butanyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}méthionyl)amino]-2-(3-vinylphényl)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-ethenylphenyl)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: 704.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.1±35.7 °C
Index of Refraction: 1.527
Molar Refractivity: 161.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2678.68
ACD/KOC (pH 5.5): 6471.65
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 2178.39
ACD/KOC (pH 7.4): 5262.96
Polar Surface Area: 146 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 526.0±7.0 cm3

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