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Search term: CUBMOGUMYFWDFS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2Z)-3-{[N-(Diphenylacetyl)-L-leucyl]amino}-1-ethoxy-1-oxo-4-phenyl-2-buten-2-yl ethyl oxalate | C36H40N2O8

(2Z)-3-{[N-(Diphenylacetyl)-L-leucyl]amino}-1-ethoxy-1-oxo-4-phenyl-2-buten-2-yl ethyl oxalate

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID9976780

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-3-{[N-(Diphenylacetyl)-L-leucyl]amino}-1-ethoxy-1-oxo-4-phenyl-2-buten-2-yl ethyl oxalate [ACD/IUPAC Name]
(2Z)-3-{[N-(Diphenylacetyl)-L-leucyl]amino}-1-ethoxy-1-oxo-4-phenyl-2-buten-2-yl-ethyloxalat [German] [ACD/IUPAC Name]
Ethanedioic acid, (1Z)-2-[[(2S)-2-[(2,2-diphenylacetyl)amino]-4-methyl-1-oxopentyl]amino]-1-(ethoxycarbonyl)-3-phenyl-1-propen-1-yl ethyl ester [ACD/Index Name]
Oxalate de (2Z)-3-{[N-(2,2-diphénylacétyl)-L-leucyl]amino}-1-éthoxy-1-oxo-4-phényl-2-butén-2-yle et d'éthyle [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: 821.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 450.9±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 171.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17835.98
ACD/KOC (pH 5.5): 38429.25
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17797.33
ACD/KOC (pH 7.4): 38345.97
Polar Surface Area: 137 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 527.2±3.0 cm3

Click to predict properties on the Chemicalize site


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