ChemSpider 2D Image | L-alanyl-gamma-D-glutamyl-meso-diaminopimelic acid | C15H26N4O8

L-alanyl-γ-D-glutamyl-meso-diaminopimelic acid

  • Molecular FormulaC15H26N4O8
  • Average mass390.389 Da
  • Monoisotopic mass390.175049 Da
  • ChemSpider ID26332275

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

D-Glutamine, L-alanyl-N-[(1R,5S)-5-amino-1,5-dicarboxypentyl]- [ACD/Index Name]
L-Alanyl-N-[(1R,5S)-5-amino-1,5-dicarboxypentyl]-D-glutamin [German] [ACD/IUPAC Name]
L-Alanyl-N-[(1R,5S)-5-amino-1,5-dicarboxypentyl]-D-glutamine [ACD/IUPAC Name]
L-Alanyl-N-[(1R,5S)-5-amino-1,5-dicarboxypentyl]-D-glutamine [French] [ACD/IUPAC Name]
L-alanyl-γ-D-glutamyl-meso-diaminopimelic acid
L-Ala-γ-D-Glu-mDAP
L-Ala-γ-D-Glu-meso-Dap
L-Ala-γ-D-Glu-Meso-Diaminopimelic Acid
Tri-DAP
  • Miscellaneous

    • Chemical Class:

      A tripeptide comprising <stereo>L</stereo>-alanyl, <locant>gamma</locant>-<stereo>D</stereo>-glutamyl and <stereo>meso</stereo>-diaminopimelic acid residues in a linear sequence. ChEBI CHEBI:61564
      A tripeptide comprising L-alanyl, gamma-D-glutamyl and meso-diaminopimelic acid residues in a linear sequence. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61564
      A tripeptide comprising L-alanyl, gamma-D-glutamyl and meso-diaminopimelic acid residues in a linear sequence. It is a breakdown product of bacterial peptidoglycan and a NOD1 agonist. ChEBI CHEBI:61564

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

Density: 1.4±0.1 g/cm3
Boiling Point: 834.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.6±6.0 kJ/mol
Flash Point: 458.2±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -6.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 280.7±3.0 cm3

Click to predict properties on the Chemicalize site


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