ChemSpider 2D Image | N~1~-[(2S,3R)-3-Hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-N~2~-(8-quinolinylcarbonyl)-L-aspartamide | C35H39N5O5

N1-[(2S,3R)-3-Hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-N2-(8-quinolinylcarbonyl)-L-aspartamide

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID413851

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Aspartamide, N1-[(1S,2R)-3-[2-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-(8-quinolinylcarbonyl)- [ACD/Index Name]
N1-[(2S,3R)-3-Hydroxy-4-{2-[(2-méthyl-2-propanyl)carbamoyl]phényl}-1-phényl-2-butanyl]-N2-(8-quinoléinylcarbonyl)-L-aspartamide [French] [ACD/IUPAC Name]
N1-[(2S,3R)-3-Hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-N2-(8-quinolinylcarbonyl)-L-aspartamide [ACD/IUPAC Name]
N2-(8-Chinolinylcarbonyl)-N1-[(2S,3R)-3-hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-L-aspartamid [German] [ACD/IUPAC Name]
[1S-(1R*,4R*,5S*)]-N-(1-(2-amino-2-oxoethyl)-2-oxo-3-aza-4-phenylmethyl-5-hydroxy-6- (2-(1-t-butylamino-1-oxomethyl)phenyl)hexyl)-8-quinolinyl carboxamide

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

AIDS071048 [DBID]
AIDS-071048 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 988.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.0±3.0 kJ/mol
Flash Point: 551.8±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 160.65
ACD/KOC (pH 5.5): 1316.64
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.70
ACD/KOC (pH 7.4): 1325.31
Polar Surface Area: 164 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 489.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement