ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(2S)-1-(benzylsulfanyl)-1-oxo-2-propanyl]-N~2~-methyl-L-leucinamide | C27H43N3O5S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(2S)-1-(benzylsulfanyl)-1-oxo-2-propanyl]-N2-methyl-L-leucinamide

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID8522101

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N2-methyl-N-[(1S)-1-methyl-2-oxo-2-[(phenylmethyl)thio]ethyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(2S)-1-(benzylsulfanyl)-1-oxo-2-propanyl]-N2-methyl-L-leucinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(2S)-1-(benzylsulfanyl)-1-oxo-2-propanyl]-N2-methyl-L-leucinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(2S)-1-(benzylsulfanyl)-1-oxo-2-propanyl]-N2-méthyl-L-leucinamide [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: 667.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 741.13
ACD/KOC (pH 5.5): 3943.42
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 741.03
ACD/KOC (pH 7.4): 3942.86
Polar Surface Area: 130 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 471.5±3.0 cm3

Click to predict properties on the Chemicalize site


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