ChemSpider 2D Image | alpha-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-(7-carboxyheptyl)phenylalaninamide | C32H45N3O6

α-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-(7-carboxyheptyl)phenylalaninamide

  • Molecular FormulaC32H45N3O6
  • Average mass567.716 Da
  • Monoisotopic mass567.330811 Da
  • ChemSpider ID23141184

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-α-methyl-L-phenylalanyl-N-(7-carboxyheptyl)- [ACD/Index Name]
α-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-(7-carboxyheptyl)phenylalaninamid [German] [ACD/IUPAC Name]
α-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-(7-carboxyheptyl)phenylalaninamide [ACD/IUPAC Name]
α-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-(7-carboxyheptyl)phénylalaninamide [French] [ACD/IUPAC Name]
8-[2-((S)-2-tert-Butoxycarbonylamino-2-methyl-3-phenyl-propionylamino)-3-phenyl-propionylamino]-octanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 825.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.0±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1043.86
ACD/KOC (pH 5.5): 2982.02
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 16.70
ACD/KOC (pH 7.4): 47.70
Polar Surface Area: 134 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 499.3±3.0 cm3

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