ChemSpider 2D Image | N~6~-L-Homocysteyl-N~2~-L-valyl-L-lysine | C15H30N4O4S

N6-L-Homocysteyl-N2-L-valyl-L-lysine

  • Molecular FormulaC15H30N4O4S
  • Average mass362.488 Da
  • Monoisotopic mass362.198761 Da
  • ChemSpider ID26332430

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Lysine, N6-L-homocysteyl-N2-L-valyl- [ACD/Index Name]
N(6)-L-homocysteinyl-N(2)-L-valyl-L-lysine
N6-L-Homocysteinyl-N2-L-valyl-L-lysin [German] [ACD/IUPAC Name]
N6-L-Homocysteyl-N2-L-valyl-L-lysine [ACD/IUPAC Name]
N6-L-Homocysteyl-N2-L-valyl-L-lysine [French] [ACD/IUPAC Name]
Val-(Nepsilon-Hcy-Lys)

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

CHEBI:61879 [DBID]
  • Miscellaneous

    • Chemical Class:

      A branched tripeptide in which <stereo>L</stereo>-homocysteine and <stereo>L</stereo>-valine are linked via peptide bonds to the <locant>epsilon</locant>- and <locant>alpha</locant>-nitrogens respecti vely of <stereo>L</stereo>-lysine. ChEBI CHEBI:61879
      A branched tripeptide in which L-homocysteine and L-valine are linked via peptide bonds to the epsilon- and alpha-nitrogens respecti; vely of L-lysine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61879
      A branched tripeptide in which L-homocysteine and L-valine are linked via peptide bonds to the epsilon- and alpha-nitrogens respectively of L-lysine. ChEBI CHEBI:61879

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±6.0 kJ/mol
Flash Point: 358.7±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 305.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement