5-Oxo-L-Prolyl-L-Histidyl-D-Alanine

Molecule SVG Image

Properties Simple | Detailed

Formula C14H19N5O5
IUPAC Name (2r)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
Molecular Mass 337.331 g·mol−1
Heat of Formation -828.8 ± 16.7 kJ·mol−1
Dipole Moment 9.11 ± 1.08 D
Volume 395.55 Å 3
Surface Area 338.58 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2s)-3-(3h-imidazol-4-yl)-1-oxo-2-[[oxo-[(2s)-5-oxo-2-pyrrolidinyl]methyl]amino]propyl]amino]propanoic acid
  • (2r)-2-[[(2s)-3-(3h-imidazol-4-yl)-2-(pyroglutamoylamino)propanoyl]amino]propionic acid
  • (2r)-2-[[(2s)-3-(3h-imidazol-4-yl)-2-[[(2s)-5-oxopyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoic acid
  • (2r)-2-[[(2s)-3-(3h-imidazol-4-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
  • d-alanine, n-(n-(5-oxo-l-prolyl)-l-histidyl)-
  • pglu-his-ala
  • pglu-his-ala-oh
  • pyroglutamyl-histidyl-alanine
CAS Number(s)
  • 82780-19-6
InChIKey NGNCHLZYBLGYLJ-JEZHCXPESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N