L-γ-Glutamyl-S-(4-Nitrobenzyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H22N4O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(4-nitrophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 442.444 g·mol−1
Heat of Formation -1080.8 ± 16.7 kJ·mol−1
Dipole Moment 7.97 ± 1.08 D
Volume 510.99 Å 3
Surface Area 386.97 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(4-nitrophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(4-nitrophenyl)methylthio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(4-nitrophenyl)methylsulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-[(4-nitrobenzyl)thio]propanoyl]amino]acetic acid
  • glycine, n-(n-l-gamma-glutamyl-s-((4-nitrophenyl)methyl)-l-cysteinyl)-
  • gtb
  • s-(4-nitrobenzyl)glutathione
  • s-(p-nitrobenzyl)glutathione
InChIKey OAWORKDPTSAMBZ-STQMWFEESA-N
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