L-γ-Glutamyl-S-[(1R)-7-(Hydroxymethyl)-2,3-Dihydro-1H-Pyrrolizin-1-Yl]-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C18H26N4O7S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(1r)-7-(hydroxymethyl)-2,3-dihydro-1h-pyrrolizin-4-ium-8-ylium-1-yl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 442.487 g·mol−1
Heat of Formation -1156.3 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 520.92 Å 3
Surface Area 433.73 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(1r)-7-(hydroxymethyl)-2,3-dihydro-1h-pyrrolizin-1-yl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(1r)-7-(hydroxymethyl)-2,3-dihydro-1h-pyrrolizin-1-yl]thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-keto-1-[[[(1r)-7-methylol-2,3-dihydro-1h-pyrrolizin-1-yl]thio]methyl]ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[(1r)-7-(hydroxymethyl)-2,3-dihydro-1h-pyrrolizin-1-yl]sulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 7-glutathionyldehydroretronecine
  • glutathione-dehydroretronecine conjugate
  • glycine, n-(s-(2,3-dihydro-7-(hydroxymethyl)-1h-pyrrolizin-1-yl)-n-l-gamma-glutamyl-l-cysteinyl)-, (r)-
  • gsh-dhr
CAS Number(s)
  • 64660-86-2
InChIKey VGNGDXGMOUMTSQ-RWMBFGLXSA-N
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