ChemSpider 2D Image | Methyl N-{benzoyl[(2R,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucyl-D-valinate | C35H50N4O8

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

  • Molecular FormulaC35H50N4O8
  • Average mass654.794 Da
  • Monoisotopic mass654.362854 Da
  • ChemSpider ID9333178

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

D-Valine, N-[[benzoyl[(2R,3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]carbonyl]-D-leucyl-, methyl ester [ACD/Index Name]
Methyl N-{benzoyl[(2R,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucyl-D-valinate [ACD/IUPAC Name]
Methyl-N-{benzoyl[(2R,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucyl-D-valinat [German] [ACD/IUPAC Name]
N-{Benzoyl[(2R,3R)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]carbamoyl}-D-leucyl-D-valinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.543
Molar Refractivity: 177.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3758.40
ACD/KOC (pH 5.5): 12606.10
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3756.46
ACD/KOC (pH 7.4): 12599.58
Polar Surface Area: 163 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 563.0±3.0 cm3

Click to predict properties on the Chemicalize site


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