ChemSpider 2D Image | L-796,778 | C29H40N6O7

L-796,778

  • Molecular FormulaC29H40N6O7
  • Average mass584.664 Da
  • Monoisotopic mass584.295837 Da
  • ChemSpider ID4470866

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-796,778
L-Lysine, N-[[[(1S)-2-[(4-nitrophenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-D-norleucyl-, methyl ester [ACD/Index Name]
Methyl N-({(2S)-1-[(4-nitrophenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-D-norleucyl-L-lysinate [ACD/IUPAC Name]
Methyl-N-({(2S)-1-[(4-nitrophenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-D-norleucyl-L-lysinat [German] [ACD/IUPAC Name]
N-({(2S)-1-[(4-Nitrophényl)amino]-1-oxo-3-phényl-2-propanyl}carbamoyl)-D-norleucyl-L-lysinate de méthyle [French] [ACD/IUPAC Name]
217480-25-6 [RN]
C429627
L 796778
L796778
L-796778
More...
  • Miscellaneous

    • Chemical Class:

      A methyl ester resulting from the formal condensation of the carboxy group of N-{[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-D-norleucyl-L-lysine with methanol. It is a partial agoni st of somatostatin subtype receptor 3 (Ki = 24 nM) that exhibits anticonvulsant effects. ChEBI CHEBI:192264

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

Density: 1.2±0.1 g/cm3
Boiling Point: 868.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 479.2±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.93
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 197 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 471.6±3.0 cm3

Click to predict properties on the Chemicalize site


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