L-α-Glutamyl-S-[2,5-Bis(Dimethylamino)Phenyl]-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C20H31N5O6S
IUPAC Name (4s)-4-amino-5-[[(1r)-1-[[2,5-bis(dimethylamino)phenyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 469.555 g·mol−1
Heat of Formation -1005.1 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 568.68 Å 3
Surface Area 449.1 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[[(1r)-1-[[2,5-bis(dimethylamino)phenyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[[(1r)-1-[[[2,5-bis(dimethylamino)phenyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
  • (4s)-4-amino-5-[[(1r)-1-[[[2,5-bis(dimethylamino)phenyl]thio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
  • (4s)-4-amino-5-[[(2r)-3-[2,5-bis(dimethylamino)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2-(glutathione-yl)-n,n,n',n'-tetramethyl-4-phenylenediamine
  • 2-gs-tmpd
  • glycine, n-(s-(2,5-bis(dimethylamino)phenyl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • n-(s-(2,5-bis(dimethylamino)phenyl)-n-l-gamma-glutamyl-l-cysteinyl)glycine
CAS Number(s)
  • 135909-56-7
InChIKey FXNNYCXNNOWOBK-KBPBESRZSA-N
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