5-Oxo-L-Prolyl-3-Methyl-L-Histidylglycine

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Properties Simple | Detailed

Formula C14H19N5O5
IUPAC Name 2-[[(2s)-3-(3-methylimidazol-3-ium-4-ylium-4-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid
Molecular Mass 337.331 g·mol−1
Heat of Formation -790.1 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 400.05 Å 3
Surface Area 339.03 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-3-(3-methyl-4-imidazolyl)-1-oxo-2-[[oxo-[(2s)-5-oxo-2-pyrrolidinyl]methyl]amino]propyl]amino]acetic acid
  • 2-[[(2s)-3-(3-methylimidazol-4-yl)-2-(pyroglutamoylamino)propanoyl]amino]acetic acid
  • 2-[[(2s)-3-(3-methylimidazol-4-yl)-2-[[(2s)-5-oxopyrrolidin-2-yl]carbonylamino]propanoyl]amino]ethanoic acid
  • 2-[[(2s)-3-(3-methylimidazol-4-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid
  • glycine, n-(3-methyl-n-(5-oxo-l-prolyl)-l-histidyl)-
  • pglu-3-me-his-gly
  • pglu-3-me-his-gly-oh
  • pyroglutamyl-3-methylhistidyl-glycine
CAS Number(s)
  • 82780-18-5
InChIKey GBCIQPUAKFIRCP-UWVGGRQHSA-N
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