ChemSpider 2D Image | N-(tert-butoxycarbonyl)-L-valyl-N-[(1E,3S)-5-methyl-1-(phenylsulfonyl)hex-1-en-3-yl]-L-alaninamide | C26H41N3O6S

N-(tert-butoxycarbonyl)-L-valyl-N-[(1E,3S)-5-methyl-1-(phenylsulfonyl)hex-1-en-3-yl]-L-alaninamide

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID23242702

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N-[(1S)-3-methyl-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl]- [ACD/Index Name]
N-(tert-butoxycarbonyl)-L-valyl-N-[(1E,3S)-5-methyl-1-(phenylsulfonyl)hex-1-en-3-yl]-L-alaninamide
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(1E,3S)-5-methyl-1-(phenylsulfonyl)-1-hexen-3-yl]-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(1E,3S)-5-methyl-1-(phenylsulfonyl)-1-hexen-3-yl]-L-alaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(1E,3S)-5-méthyl-1-(phénylsulfonyl)-1-hexén-3-yl]-L-alaninamide [French] [ACD/IUPAC Name]
((S)-1-{(S)-1-[(S)-1-((E)-2-Benzenesulfonyl-vinyl)-3-methyl-butylcarbamoyl]-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 754.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.8±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.30
ACD/KOC (pH 5.5): 1920.72
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 271.22
ACD/KOC (pH 7.4): 1920.17
Polar Surface Area: 139 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 464.6±3.0 cm3

Click to predict properties on the Chemicalize site


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