ChemSpider 2D Image | N-(3-Phenylpropanoyl)-L-valyl-N-{4-[benzyl(2-phenylethyl)amino]-1-carboxy-3-oxo-2-butanyl}-L-alaninamide | C37H46N4O6

N-(3-Phenylpropanoyl)-L-valyl-N-{4-[benzyl(2-phenylethyl)amino]-1-carboxy-3-oxo-2-butanyl}-L-alaninamide

  • Molecular FormulaC37H46N4O6
  • Average mass642.784 Da
  • Monoisotopic mass642.341736 Da
  • ChemSpider ID23152775

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-(1-oxo-3-phenylpropyl)-L-valyl-N-[1-(carboxymethyl)-2-oxo-3-[(2-phenylethyl)(phenylmethyl)amino]propyl]- [ACD/Index Name]
N-(3-Phenylpropanoyl)-L-valyl-N-{4-[benzyl(2-phenylethyl)amino]-1-carboxy-3-oxo-2-butanyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-(3-Phenylpropanoyl)-L-valyl-N-{4-[benzyl(2-phenylethyl)amino]-1-carboxy-3-oxo-2-butanyl}-L-alaninamide [ACD/IUPAC Name]
N-(3-Phénylpropanoyl)-L-valyl-N-{4-[benzyl(2-phényléthyl)amino]-1-carboxy-3-oxo-2-butanyl}-L-alaninamide [French] [ACD/IUPAC Name]
N-(3-phenylpropanoyl)-L-valyl-N-{4-[benzyl(2-phenylethyl)amino]-1-carboxy-3-oxobutan-2-yl}-L-alaninamide
5-(Benzyl-phenethyl-amino)-3-{(S)-2-[(S)-3-methyl-2-(3-phenyl-propionylamino)-butyrylamino]-propionylamino}-4-oxo-pentanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 907.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 502.8±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 179.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 13.25
ACD/KOC (pH 5.5): 57.85
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.06
Polar Surface Area: 145 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 542.6±3.0 cm3

Click to predict properties on the Chemicalize site


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