5-Oxo-L-Prolyl-L-α-Glutamyl-L-α-Aspartylglycine

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Properties Simple | Detailed

Formula C16H22N4O10
IUPAC Name (4s)-5-[[(1s)-1-(carboxymethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-4-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
Molecular Mass 430.367 g·mol−1
Heat of Formation -1912.2 ± 16.7 kJ·mol−1
Dipole Moment 8.37 ± 1.08 D
Volume 491.07 Å 3
Surface Area 397.19 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-5-[[(1s)-1-(carboxymethylcarbamoyl)-3-hydroxy-3-keto-propyl]amino]-5-keto-4-(pyroglutamoylamino)valeric acid
  • (4s)-5-[[(1s)-1-(carboxymethylcarbamoyl)-3-hydroxy-3-oxo-propyl]amino]-5-oxo-4-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
  • (4s)-5-[[(1s)-1-[(carboxymethylamino)-oxomethyl]-3-hydroxy-3-oxopropyl]amino]-5-oxo-4-[[oxo-[(2s)-5-oxo-2-pyrrolidinyl]methyl]amino]pentanoic acid
  • (4s)-5-[[(2s)-1-(carboxymethylamino)-4-hydroxy-1,4-dioxo-butan-2-yl]amino]-5-oxo-4-[[(2s)-5-oxopyrrolidin-2-yl]carbonylamino]pentanoic acid
  • (4s)-5-[[(2s)-1-(carboxymethylamino)-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxo-4-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
  • glycine, n-(n-(n-(5-oxo-l-prolyl)-l-alpha-glutamyl)-l-alpha-aspartyl)-, (3as-(3aalpha,4beta,6aalpha))-
  • pglu-glu-asp-glyoh
  • pyroglu-glu-asp-gly-oh
  • pyroglutamyl-glutamyl-asparaginyl-glycine
CAS Number(s)
  • 91856-42-7
InChIKey WWBAFCZVMBCUQM-CIUDSAMLSA-N
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