ChemSpider 2D Image | Ethyl N~6~-(2-aminoethyl)-N~2~-[(3S)-1-(2-ethoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-N~6~-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysinate | C29H46N4O7

Ethyl N6-(2-aminoethyl)-N2-[(3S)-1-(2-ethoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysinate

  • Molecular FormulaC29H46N4O7
  • Average mass562.698 Da
  • Monoisotopic mass562.336670 Da
  • ChemSpider ID8568520

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Ethyl N6-(2-aminoethyl)-N2-[(3S)-1-(2-ethoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysinate [ACD/IUPAC Name]
Ethyl-N6-(2-aminoethyl)-N2-[(3S)-1-(2-ethoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysinat [German] [ACD/IUPAC Name]
L-Lysine, N6-(2-aminoethyl)-N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(3S)-1-(2-ethoxy-2-oxoethyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]-, ethyl ester [ACD/Index Name]
N6-(2-Aminoéthyl)-N2-[(3S)-1-(2-éthoxy-2-oxoéthyl)-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]-N6-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-lysinate 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: 711.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 151.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 15.56
ACD/KOC (pH 7.4): 101.77
Polar Surface Area: 141 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 476.0±5.0 cm3

Click to predict properties on the Chemicalize site


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