ChemSpider 2D Image | Methyl N-{benzyl[(2S,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucyl-D-leucinate | C36H54N4O7

Methyl N-{benzyl[(2S,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucyl-D-leucinate

  • Molecular FormulaC36H54N4O7
  • Average mass654.837 Da
  • Monoisotopic mass654.399231 Da
  • ChemSpider ID9368180

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

D-Leucine, N-[[[(2S,3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-D-leucyl-, methyl ester [ACD/Index Name]
Methyl N-{benzyl[(2S,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucyl-D-leucinate [ACD/IUPAC Name]
Methyl-N-{benzyl[(2S,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucyl-D-leucinat [German] [ACD/IUPAC Name]
N-{Benzyl[(2S,3R)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]carbamoyl}-D-leucyl-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: 839.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 461.3±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 181.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10078.99
ACD/KOC (pH 5.5): 25540.84
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10076.77
ACD/KOC (pH 7.4): 25535.20
Polar Surface Area: 146 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 580.8±3.0 cm3

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