ChemSpider 2D Image | beta,beta-Diethyl-N-methyl-L-phenylalanyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide | C29H47N3O4

β,β-Diethyl-N-methyl-L-phenylalanyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID9642508

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valinamide, β,β-diethyl-N-methyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl- [ACD/Index Name]
β,β-Diethyl-N-methyl-L-phenylalanyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
β,β-Diethyl-N-methyl-L-phenylalanyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide [ACD/IUPAC Name]
β,β-Diéthyl-N-méthyl-L-phénylalanyl-N-[(3S,4E)-5-carboxy-2-méthyl-4-hexén-3-yl]-N,3-diméthyl-L-valinamide [French] [ACD/IUPAC Name]
β,β-diethyl-N-methyl-L-phenylalanyl-N-[(3S,4E)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide
4-{[2-(3-Ethyl-2-methylamino-3-phenyl-pentanoylamino)-3,3-dimethyl-butyryl]-methyl-amino}-2,5-dimethyl-hex-2-enoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 16.44
ACD/KOC (pH 5.5): 53.31
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 10.52
ACD/KOC (pH 7.4): 34.09
Polar Surface Area: 99 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 478.5±3.0 cm3

Click to predict properties on the Chemicalize site


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