ChemSpider 2D Image | N~1~-{(2S,3S)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide | C35H39N5O5

N1-{(2S,3S)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl}-N2-(quinolin-2-ylcarbonyl)-L-aspartamide

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID411502
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Aspartamide, N1-[(1S,2S)-3-[2-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-(2-quinolinylcarbonyl)- [ACD/Index Name]
N1-[(2S,3S)-3-Hydroxy-4-{2-[(2-méthyl-2-propanyl)carbamoyl]phényl}-1-phényl-2-butanyl]-N2-(2-quinoléinylcarbonyl)-L-aspartamide [French] [ACD/IUPAC Name]
N1-[(2S,3S)-3-Hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-N2-(2-quinolinylcarbonyl)-L-aspartamide [ACD/IUPAC Name]
N1-{(2S,3S)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl}-N2-(quinolin-2-ylcarbonyl)-L-aspartamide
N2-(2-Chinolinylcarbonyl)-N1-[(2S,3S)-3-hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-L-aspartamid [German] [ACD/IUPAC Name]
(S)-N*1*-[(1S,2S)-1-Benzyl-3-(2-tert-butylcarbamoyl-phenyl)-2-hydroxy-propyl]-2-[(quinoline-2-carbonyl)-amino]-succinamide
[1S-(1R*,4R*,5R*)]-N-(1-(2-amino-2-oxoethyl)-2-oxo-3-aza-4-phenylmethyl- 5-hydroxy-6-(2-(1-t-butylamino-1-oxomethyl)phenyl)hexyl)-2-quinolinyl carboxamide
LY-289612

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

AIDS058272 [DBID]
AIDS-058272 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 3.30
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.96
ACD/KOC (pH 5.5): 946.02
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.95
ACD/KOC (pH 7.4): 945.92
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

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