L-γ-Glutamyl-N-[S-(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)-L-Cysteinyl]Glycine

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Properties Simple | Detailed

Formula C16H18N6O9S
IUPAC Name (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-nitro-5h-2,1,3-benzoxadiazol-5-id-7-yl)sulfanyl]propanoyl]-(carboxylatomethyl)amino]-5-oxo-pentanoate
Molecular Mass 470.414 g·mol−1
Heat of Formation -809.7 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 500.06 Å 3
Surface Area 385.12 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -2.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(7-nitrobenzofurazan-4-yl)thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid
  • gamma-glutamyl-(s-4-nitrobenz-2-oxa-1,3-diazole)cysteinylglycine
  • glycine, l-gamma-glutamyl-s-(7-nitro-2,1,3-benzoxadiazol-4-yl)-l-cysteinyl-
  • glycine, n-(n-l-gamma-glutamyl-s-(7-nitrobenzofurazanyl)-l-cysteinyl)-
  • l-gamma-glutamyl-(s-4-nitrobenz-2-oxa-1,3-diazole)-l-cysteinylglycine
  • nbd-glutathione
CAS Number(s)
  • 35841-75-9
InChIKey YMZOZIULKRCTBS-YUMQZZPRSA-N
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