ChemSpider 2D Image | 3-(1H-Imidazol-1-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolyl-2-methyl-N-[(1R)-1-phenylethyl]alaninamide | C28H40N6O5

3-(1H-Imidazol-1-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolyl-2-methyl-N-[(1R)-1-phenylethyl]alaninamide

  • Molecular FormulaC28H40N6O5
  • Average mass540.654 Da
  • Monoisotopic mass540.306030 Da
  • ChemSpider ID9213996

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-(1H-Imidazol-1-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolyl-2-methyl-N-[(1R)-1-phenylethyl]alaninamid [German] [ACD/IUPAC Name]
3-(1H-Imidazol-1-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolyl-2-methyl-N-[(1R)-1-phenylethyl]alaninamide [ACD/IUPAC Name]
3-(1H-Imidazol-1-yl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolyl-2-méthyl-N-[(1R)-1-phényléthyl]alaninamide [French] [ACD/IUPAC Name]
Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-3-(1H-imidazol-1-yl)-L-alanyl-L-prolyl-2-methyl-N-[(1R)-1-phenylethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 843.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 464.2±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 28.95
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.28
ACD/KOC (pH 7.4): 354.30
Polar Surface Area: 135 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 438.6±7.0 cm3

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