ChemSpider 2D Image | Methyl N-{(4-ethylphenyl)[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino]acetyl}glycinate | C30H49N3O6S

Methyl N-{(4-ethylphenyl)[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino]acetyl}glycinate

  • Molecular FormulaC30H49N3O6S
  • Average mass579.792 Da
  • Monoisotopic mass579.334229 Da
  • ChemSpider ID16521952

More details:

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

Glycine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylthio)-1-oxobutyl](1,4-dimethylpentyl)amino]-2-(4-ethylphenyl)acetyl]-, methyl ester [ACD/Index Name]
Methyl N-{(4-ethylphenyl)[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino]acetyl}glycinate [ACD/IUPAC Name]
Methyl-N-{(4-ethylphenyl)[(5-methyl-2-hexanyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}methionyl)amino]acetyl}glycinat [German] [ACD/IUPAC Name]
N-{2-(4-Éthylphényl)-2-[(5-méthyl-2-hexanyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}méthionyl)amino]acétyl}glycinate de méthyle [French] [ACD/IUPAC 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: 690.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.2±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 161.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11390.21
ACD/KOC (pH 5.5): 26952.89
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 5996.15
ACD/KOC (pH 7.4): 14188.81
Polar Surface Area: 146 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 37.6±7.0 dyne/cm
Molar Volume: 520.6±7.0 cm3

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