ChemSpider 2D Image | N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S)-4-cyclohexyl-1-oxobutan-2-yl]-L-alaninamide | C27H41N3O5

N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S)-4-cyclohexyl-1-oxobutan-2-yl]-L-alaninamide

  • Molecular FormulaC27H41N3O5
  • Average mass487.632 Da
  • Monoisotopic mass487.304626 Da
  • ChemSpider ID23222654

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[(1S)-3-cyclohexyl-1-formylpropyl]- [ACD/Index Name]
N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S)-4-cyclohexyl-1-oxobutan-2-yl]-L-alaninamide
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S)-4-cyclohexyl-1-oxo-2-butanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S)-4-cyclohexyl-1-oxo-2-butanyl]-L-alaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-[(2S)-4-cyclohexyl-1-oxo-2-butanyl]-L-alaninamide [French] [ACD/IUPAC Name]
1N-[1-[3-cyclohexyl-1-formyl-(1S)-propylcarbamoyl]-(1S)-ethyl]-2-aminotertiarybutyloxycarbonyl-3-phenyl-(2S)-propanamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 720.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.3±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 881.70
ACD/KOC (pH 5.5): 4465.39
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 881.47
ACD/KOC (pH 7.4): 4464.24
Polar Surface Area: 114 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement