L-α-Glutamyl-S-[(2R)-2-Hydroxy-2-Phenylethanethioyl]-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C18H23N3O7S2
IUPAC Name (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2r)-2-hydroxy-2-phenyl-ethanethioyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 457.521 g·mol−1
Heat of Formation -1064.0 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 525.55 Å 3
Surface Area 425.09 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2r)-2-hydroxy-2-phenyl-ethanethioyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(2r)-2-hydroxy-2-phenyl-1-thioxoethyl]thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(2r)-2-hydroxy-2-phenyl-thioacetyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(2r)-2-hydroxy-2-phenyl-ethanethioyl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • s-d-dithiomandeloylglutathione
  • sddtmg
CAS Number(s)
  • 140234-19-1
InChIKey SLZDZGFRJOKHIL-SLEUVZQESA-N
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