ChemSpider 2D Image | N-Benzoyl-L-phenylalanyl-N-{(3S)-4-methyl-1-[(1-methyl-4-piperidinyl)amino]-1,2-dioxo-3-pentanyl}-L-alaninamide | C31H41N5O5

N-Benzoyl-L-phenylalanyl-N-{(3S)-4-methyl-1-[(1-methyl-4-piperidinyl)amino]-1,2-dioxo-3-pentanyl}-L-alaninamide

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID58129379

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-benzoyl-L-phenylalanyl-N-[(1S)-1-(1-methylethyl)-3-[(1-methyl-4-piperidinyl)amino]-2,3-dioxopropyl]- [ACD/Index Name]
N-Benzoyl-L-phenylalanyl-N-{(3S)-4-methyl-1-[(1-methyl-4-piperidinyl)amino]-1,2-dioxo-3-pentanyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-Benzoyl-L-phenylalanyl-N-{(3S)-4-methyl-1-[(1-methyl-4-piperidinyl)amino]-1,2-dioxo-3-pentanyl}-L-alaninamide [ACD/IUPAC Name]
N-Benzoyl-L-phénylalanyl-N-{(3S)-4-méthyl-1-[(1-méthyl-4-pipéridinyl)amino]-1,2-dioxo-3-pentanyl}-L-alaninamide [French] [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: 1.590
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 23.56
Polar Surface Area: 137 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 463.3±5.0 cm3

Click to predict properties on the Chemicalize site


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