ChemSpider 2D Image | Methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-N-{1-(4-methoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-D-leucinate | C36H51N3O7

Methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-N-{1-(4-methoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-D-leucinate

  • Molecular FormulaC36H51N3O7
  • Average mass637.806 Da
  • Monoisotopic mass637.372681 Da
  • ChemSpider ID9817863

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

D-Leucine, N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-[[(1,1-dimethylethoxy)carbonyl]amino]acetyl]-N-[2-[(1,1-dimethylethyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl]-, methyl ester [ACD/Index Name]
Methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-N-{1-(4-methoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-D-leucinate [ACD/IUPAC Name]
Methyl-N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-N-{1-(4-methoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-D-leucinat [German] [ACD/IUPAC Name]
N-[(2R)-2-(2,3-Dihydro-1H-indén-2-yl)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétyl]-N-{1-(4-méthoxyphényl)-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-D-leucinate de méthyle [French] [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: 778.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.5±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 176.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 119527.91
ACD/KOC (pH 5.5): 149978.89
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 119485.27
ACD/KOC (pH 7.4): 149925.39
Polar Surface Area: 123 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 563.6±3.0 cm3

Click to predict properties on the Chemicalize site


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