ChemSpider 2D Image | Ethyl N-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)(propyl)amino](phenyl)acetyl}-beta-alaninate | C26H41N3O6S

Ethyl N-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)(propyl)amino](phenyl)acetyl}-β-alaninate

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID16518951

More details:

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

Ethyl N-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)(propyl)amino](phenyl)acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)(propyl)amino](phenyl)acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}méthionyl)(propyl)amino]-2-phénylacétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylthio)-1-oxobutyl]propylamino]-2-phenylacetyl]-, 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: 668.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 357.9±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 143.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 239.26
ACD/KOC (pH 5.5): 1145.99
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 194.63
ACD/KOC (pH 7.4): 932.22
Polar Surface Area: 146 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 459.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement