ChemSpider 2D Image | N1-{4-[3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N2-(quinolin-2-ylcarbonyl)aspartamide | C38H50N6O5

N1-{4-[3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N2-(quinolin-2-ylcarbonyl)aspartamide

  • Molecular FormulaC38H50N6O5
  • Average mass670.841 Da
  • Monoisotopic mass670.384277 Da
  • ChemSpider ID2816541

More details:

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

Aspartamide, N1-[3-[3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-(2-quinolinylcarbonyl)- [ACD/Index Name]
aspartamide, N1-[3-[3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-(2-quinolinylcarbonyl)-
N1-(3-Hydroxy-4-{3-[(2-méthyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinoléinyl}-1-phényl-2-butanyl)-N2-(2-quinoléinylcarbonyl)aspartamide [French] [ACD/IUPAC Name]
N1-(3-Hydroxy-4-{3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl}-1-phenyl-2-butanyl)-N2-(2-quinolinylcarbonyl)aspartamide [ACD/IUPAC Name]
N2-(2-Chinolinylcarbonyl)-N1-(3-hydroxy-4-{3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isochinolinyl}-1-phenyl-2-butanyl)aspartamid [German] [ACD/IUPAC Name]
N1-{4-[3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N2-(quinolin-2-ylcarbonyl)aspartamide
N-[4-[3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
N-[4-[3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
N-[4-[3-[(tert-butylamino)-oxomethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide
saguinavir
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 1015.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.3±3.0 kJ/mol
Flash Point: 567.7±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 189.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 115.19
ACD/KOC (pH 5.5): 593.20
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 769.12
ACD/KOC (pH 7.4): 3960.67
Polar Surface Area: 167 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 553.9±3.0 cm3

Click to predict properties on the Chemicalize site


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