ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-{(2S,3R)-1-[cyclohexyl(oxido)sulfonio]-2-hydroxy-5-methyl-3-hexanyl}-L-alaninamide | C30H49N3O6S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-{(2S,3R)-1-[cyclohexyl(oxido)sulfonio]-2-hydroxy-5-methyl-3-hexanyl}-L-alaninamide

  • Molecular FormulaC30H49N3O6S
  • Average mass579.792 Da
  • Monoisotopic mass579.334229 Da
  • ChemSpider ID34222540

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[(1R)-1-[(1S)-2-(cyclohexylhydroxysulfonio)-1-hydroxyethyl]-3-methylbutyl]-, inner salt [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-{(2S,3R)-1-[cyclohexyl(oxido)sulfonio]-2-hydroxy-5-methyl-3-hexanyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-{(2S,3R)-1-[cyclohexyl(oxido)sulfonio]-2-hydroxy-5-methyl-3-hexanyl}-L-alaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-{(2S,3R)-1-[cyclohexyl(oxydo)sulfonio]-2-hydroxy-5-méthyl-3-hexanyl}-L-alaninamide [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: 1.560
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 140 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 492.3±5.0 cm3

Click to predict properties on the Chemicalize site


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