L-γ-Glutamyl-S-(5-Acetamido-2-Hydroxyphenyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C18H24N4O8S
IUPAC Name (2s)-5-[[(1r)-1-[(5-acetamido-2-hydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid
Molecular Mass 456.470 g·mol−1
Heat of Formation -1424.3 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 524.92 Å 3
Surface Area 413.75 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-[[(1r)-1-[(5-acetamido-2-hydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid
  • (2s)-5-[[(1r)-1-[[(5-acetamido-2-hydroxy-phenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid
  • (2s)-5-[[(1r)-1-[[(5-acetamido-2-hydroxyphenyl)thio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-2-amino-5-oxopentanoic acid
  • (2s)-5-[[(2r)-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-2-amino-5-oxo-pentanoic acid
  • 3-(glutathion-s-yl)acetaminophen
  • 3-gsh-acetaminophen
  • aa-glutathion
  • aa-gsh
  • acetaminophen glutathion
  • acetaminophen glutathione conjugate
  • glutathione-s-acetaminophen conjugate
  • glycine, n-(s-(5-(acetylamino)-2-hydroxyphenyl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • n-(s-(5-(acetylamino)-2-hydroxyphenyl)-n-l-gamma-glutamyl-l-cysteinylglycine
CAS Number(s)
  • 64889-81-2
InChIKey VFNAXGMNFCUWCI-RYUDHWBXSA-N
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