ChemSpider 2D Image | N-{[(2R,5S)-5-{[N-(1-Benzofuran-2-ylcarbonyl)-L-leucyl]amino}-2-methyl-6-oxo-1-azepanyl]carbonyl}-L-leucine | C29H40N4O7

N-{[(2R,5S)-5-{[N-(1-Benzofuran-2-ylcarbonyl)-L-leucyl]amino}-2-methyl-6-oxo-1-azepanyl]carbonyl}-L-leucine

  • Molecular FormulaC29H40N4O7
  • Average mass556.651 Da
  • Monoisotopic mass556.289673 Da
  • ChemSpider ID8319679

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucine, N-[[(2R,5S)-5-[[(2S)-2-[(2-benzofuranylcarbonyl)amino]-4-methyl-1-oxopentyl]amino]hexahydro-2-methyl-6-oxo-1H-azepin-1-yl]carbonyl]- [ACD/Index Name]
N-{[(2R,5S)-5-{[N-(1-Benzofuran-2-ylcarbonyl)-L-leucyl]amino}-2-methyl-6-oxo-1-azepanyl]carbonyl}-L-leucin [German] [ACD/IUPAC Name]
N-{[(2R,5S)-5-{[N-(1-Benzofuran-2-ylcarbonyl)-L-leucyl]amino}-2-methyl-6-oxo-1-azepanyl]carbonyl}-L-leucine [ACD/IUPAC Name]
N-{[(2R,5S)-5-{[N-(1-Benzofuran-2-ylcarbonyl)-L-leucyl]amino}-2-méthyl-6-oxo-1-azépanyl]carbonyl}-L-leucine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 870.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 480.0±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 13.36
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 442.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement