ChemSpider 2D Image | L-Phenylalanyl-N-{(1S)-1-[(3-{[(2S)-1-(benzyloxy)-4-methyl-1-oxo-2-pentanyl]amino}-2-methyl-3-oxopropanoyl)amino]-2-phenylethyl}-L-valinamide | C39H51N5O6

L-Phenylalanyl-N-{(1S)-1-[(3-{[(2S)-1-(benzyloxy)-4-methyl-1-oxo-2-pentanyl]amino}-2-methyl-3-oxopropanoyl)amino]-2-phenylethyl}-L-valinamide

  • Molecular FormulaC39H51N5O6
  • Average mass685.852 Da
  • Monoisotopic mass685.383911 Da
  • ChemSpider ID8946177

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

L-Phenylalanyl-N-{(1S)-1-[(3-{[(2S)-1-(benzyloxy)-4-methyl-1-oxo-2-pentanyl]amino}-2-methyl-3-oxopropanoyl)amino]-2-phenylethyl}-L-valinamid [German] [ACD/IUPAC Name]
L-Phenylalanyl-N-{(1S)-1-[(3-{[(2S)-1-(benzyloxy)-4-methyl-1-oxo-2-pentanyl]amino}-2-methyl-3-oxopropanoyl)amino]-2-phenylethyl}-L-valinamide [ACD/IUPAC Name]
L-Phénylalanyl-N-{(1S)-1-[(3-{[(2S)-1-(benzyloxy)-4-méthyl-1-oxo-2-pentanyl]amino}-2-méthyl-3-oxopropanoyl)amino]-2-phényléthyl}-L-valinamide [French] [ACD/IUPAC Name]
L-Valinamide, L-phenylalanyl-N-[(1S)-1-[[2-methyl-3-[[(1S)-3-methyl-1-[(phenylmethoxy)carbonyl]butyl]amino]-1,3-dioxopropyl]amino]-2-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: 944.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 525.3±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 192.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 25.04
ACD/KOC (pH 5.5): 141.26
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 310.75
ACD/KOC (pH 7.4): 1753.11
Polar Surface Area: 169 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 590.8±3.0 cm3

Click to predict properties on the Chemicalize site


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