S-(2-Amino-6-Oxo-3,6-Dihydro-7H-Purin-7-Yl)-L-Cysteinyl-N-L-γ-Glutamylglycine

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Properties Simple | Detailed

Formula C15H20N8O7S
IUPAC Name (2s)-2-amino-5-[[(2r)-2-amino-3-[(2-amino-6-oxo-3h-purine-1,9-diium-5-id-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
Molecular Mass 456.434 g·mol−1
Heat of Formation -1021.3 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 493.57 Å 3
Surface Area 388.94 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(2-amino-6-keto-3h-purin-7-yl)thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(2-amino-6-oxo-3h-purin-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(2-amino-6-oxo-3h-purin-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(2-amino-6-oxo-3h-purin-7-yl)thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • gegsh
  • glycine, n-(s-(2-amino-1,6-dihydro-6-oxo-7h-purin-7-yl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • s-(2-(n(7)-guanyl)ethyl)glutathione
CAS Number(s)
  • 87367-17-7
InChIKey ZKYZKSFUHCEERX-BQBZGAKWSA-N
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