ChemSpider 2D Image | N-[(2S)-2-Acetamido-4-phenylbutanoyl]-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nalpha-methyl-L-phenylalaninamide | C42H49N5O5

N-[(2S)-2-Acetamido-4-phenylbutanoyl]-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nα-methyl-L-phenylalaninamide

  • Molecular FormulaC42H49N5O5
  • Average mass703.869 Da
  • Monoisotopic mass703.373352 Da
  • ChemSpider ID24688021

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(2S)-2-(acetylamino)-1-oxo-4-phenylbutyl]-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nα-methyl- [ACD/Index Name]
N-[(2S)-2-Acetamido-4-phenylbutanoyl]-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nα-methyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Acetamido-4-phenylbutanoyl]-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nα-methyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(2S)-2-Acétamido-4-phénylbutanoyl]-N-méthyl-L-phénylalanyl-N-méthyl-L-phénylalanyl-Nα-méthyl-L-phénylalaninamide [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: 957.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 532.7±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2907.04
ACD/KOC (pH 5.5): 10488.98
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2907.05
ACD/KOC (pH 7.4): 10488.99
Polar Surface Area: 133 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 589.8±3.0 cm3

Click to predict properties on the Chemicalize site


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