ChemSpider 2D Image | 3-Methyl-N-(4-quinolinylcarbonyl)-L-valyl-N-[(3S)-1-(cyclohexylamino)-4-methyl-1,2-dioxo-3-pentanyl]-L-alaninamide | C31H43N5O5

3-Methyl-N-(4-quinolinylcarbonyl)-L-valyl-N-[(3S)-1-(cyclohexylamino)-4-methyl-1,2-dioxo-3-pentanyl]-L-alaninamide

  • Molecular FormulaC31H43N5O5
  • Average mass565.704 Da
  • Monoisotopic mass565.326416 Da
  • ChemSpider ID58129372

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Méthyl-N-(4-quinoléinylcarbonyl)-L-valyl-N-[(3S)-1-(cyclohexylamino)-4-méthyl-1,2-dioxo-3-pentanyl]-L-alaninamide [French] [ACD/IUPAC Name]
3-Methyl-N-(4-quinolinylcarbonyl)-L-valyl-N-[(3S)-1-(cyclohexylamino)-4-methyl-1,2-dioxo-3-pentanyl]-L-alaninamide [ACD/IUPAC Name]
L-Alaninamide, 3-methyl-N-(4-quinolinylcarbonyl)-L-valyl-N-[(1S)-3-(cyclohexylamino)-1-(1-methylethyl)-2,3-dioxopropyl]- [ACD/Index Name]
N-(4-Chinolinylcarbonyl)-3-methyl-L-valyl-N-[(3S)-1-(cyclohexylamino)-4-methyl-1,2-dioxo-3-pentanyl]-L-alaninamid [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 157.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.35
ACD/KOC (pH 5.5): 700.22
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.99
ACD/KOC (pH 7.4): 727.68
Polar Surface Area: 146 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 472.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement