ChemSpider 2D Image | N~6~-(L-Homocysteyl)-L-lysyl-L-alanine | C13H26N4O4S

N6-(L-Homocysteyl)-L-lysyl-L-alanine

  • Molecular FormulaC13H26N4O4S
  • Average mass334.435 Da
  • Monoisotopic mass334.167480 Da
  • ChemSpider ID26332426

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alanine, N6-L-homocysteyl-L-lysyl- [ACD/Index Name]
N(6)-(L-homocysteinyl)-L-lysyl-L-alanine
N6-(L-Homocysteinyl)-L-lysyl-L-alanin [German] [ACD/IUPAC Name]
N6-(L-Homocysteyl)-L-lysyl-L-alanine [ACD/IUPAC Name]
N6-(L-Homocysteyl)-L-lysyl-L-alanine [French] [ACD/IUPAC Name]
N(ε)-Hcy-Lys-Ala
Nepsilon-Hcy-LysAla
  • Miscellaneous

    • Chemical Class:

      A tripeptide formed between <stereo>L</stereo>-Hcy, <stereo>L</stereo>-Lys and <stereo>L</stereo>-Ala in a linear sequence, with the peptide bond between Hcy and Lys being from the carboxy group of th e Hcy to the <locant>epsilon</locant>-nitrogen of the lysine. ChEBI CHEBI:61874
      A tripeptide formed between L-Hcy, L-Lys and L-Ala in a linear sequence, with the peptide bond between Hcy and Lys being from the carboxy group of th; e Hcy to the epsilon-nitrogen of the lysine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61874
      A tripeptide formed between L-Hcy, L-Lys and L-Ala in a linear sequence, with the peptide bond between Hcy and Lys being from the carboxy group of the Hcy to the epsilon-nitrogen of the lysine. ChEBI CHEBI:61874

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

Density: 1.2±0.1 g/cm3
Boiling Point: 671.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 360.1±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -4.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

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