ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[heptyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}phenylalaninate | C38H55N3O6S

2-Methyl-2-propanyl N-{[heptyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}phenylalaninate

  • Molecular FormulaC38H55N3O6S
  • Average mass681.925 Da
  • Monoisotopic mass681.381165 Da
  • ChemSpider ID16550720

More details:

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

2-Methyl-2-propanyl N-{[heptyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[heptyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](3-vinylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[Heptyl(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}cystéinyl)amino]-2-(3-vinylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-mercapto-1-oxopropyl]heptylamino]-2-(3-ethenylphenyl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 765.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 416.8±35.7 °C
Index of Refraction: 1.543
Molar Refractivity: 195.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 11.78
ACD/LogD (pH 5.5): 9.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4228495.50
ACD/LogD (pH 7.4): 9.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1818092.13
Polar Surface Area: 160 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 620.7±7.0 cm3

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