ChemSpider 2D Image | N~1~-{(2S,3S,5S)-1-Cyclohexyl-5-[(2,2-dimethylpropyl)carbamoyl]-3-hydroxy-6-methyl-2-heptanyl}-N~2~-(2-quinolinylcarbonyl)-L-aspartamide | C34H51N5O5

N1-{(2S,3S,5S)-1-Cyclohexyl-5-[(2,2-dimethylpropyl)carbamoyl]-3-hydroxy-6-methyl-2-heptanyl}-N2-(2-quinolinylcarbonyl)-L-aspartamide

  • Molecular FormulaC34H51N5O5
  • Average mass609.799 Da
  • Monoisotopic mass609.389038 Da
  • ChemSpider ID26325282

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Aspartamide, N1-[(1S,2S,4S)-1-(cyclohexylmethyl)-4-[[(2,2-dimethylpropyl)amino]carbonyl]-2-hydroxy-5-methylhexyl]-N2-(2-quinolinylcarbonyl)- [ACD/Index Name]
N1-{(1S,2S,4S)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-N2-(quinolin-2-ylcarbonyl)-L-aspartamide
N1-{(2S,3S,5S)-1-Cyclohexyl-5-[(2,2-diméthylpropyl)carbamoyl]-3-hydroxy-6-méthyl-2-heptanyl}-N2-(2-quinoléinylcarbonyl)-L-aspartamide [French] [ACD/IUPAC Name]
N1-{(2S,3S,5S)-1-Cyclohexyl-5-[(2,2-dimethylpropyl)carbamoyl]-3-hydroxy-6-methyl-2-heptanyl}-N2-(2-quinolinylcarbonyl)-L-aspartamide [ACD/IUPAC Name]
N2-(2-Chinolinylcarbonyl)-N1-{(2S,3S,5S)-1-cyclohexyl-5-[(2,2-dimethylpropyl)carbamoyl]-3-hydroxy-6-methyl-2-heptanyl}-L-aspartamid [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 936.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.8±3.0 kJ/mol
Flash Point: 520.4±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 573.78
ACD/KOC (pH 5.5): 3281.08
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 573.72
ACD/KOC (pH 7.4): 3280.75
Polar Surface Area: 164 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 532.3±3.0 cm3

Click to predict properties on the Chemicalize site


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