5-Oxo-L-Prolyl-L-Glutaminyl-L-α-Aspartylglycine

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Properties Simple | Detailed

Formula C16H23N5O9
IUPAC Name (3s)-3-[[(2s)-5-amino-5-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-(carboxymethylamino)-4-oxo-butanoic acid
Molecular Mass 429.382 g·mol−1
Heat of Formation -1720.2 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 501.03 Å 3
Surface Area 419.46 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[[(2s)-5-amino-1,5-dioxo-2-[[oxo-[(2s)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
  • (3s)-3-[[(2s)-5-amino-5-keto-2-(pyroglutamoylamino)pentanoyl]amino]-4-(carboxymethylamino)-4-keto-butyric acid
  • (3s)-3-[[(2s)-5-amino-5-oxo-2-[[(2s)-5-oxopyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-4-(carboxymethylamino)-4-oxo-butanoic acid
  • (3s)-3-[[(2s)-5-amino-5-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-(carboxymethylamino)-4-oxo-butanoic acid
  • (3s)-3-[[(2s)-5-amino-5-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
  • gamma-(pggag)amide
  • gamma-(pglu-glu-asp-gly)amide
  • gamma-(pyroglu-glu-asp-gly)amide
  • gamma-(pyroglutamyl-glutamyl-asparaginyl-glycine)amide
  • glycine, n-(n-(n2-(5-oxo-l-prolyl)-l-glutaminyl)-l-alpha-aspartyl)-, (3as-(3aalpha,4beta,6aalpha))-
CAS Number(s)
  • 91856-43-8
InChIKey PYLKSIZIVWBTDB-CIUDSAMLSA-N
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