L-γ-Glutamyl-S-[(5Alpha,8Alpha)-3-Hydroxy-17-Methyl-6-Oxo-4,5-Epoxymorphinan-8-Yl]-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C27H34N4O9S
IUPAC Name (2s)-5-[[(1r)-1-[[(3s,4r,4ar,5r,7ar,12bs)-9-hydroxy-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-5-yl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid
Molecular Mass 590.645 g·mol−1
Heat of Formation -1448.0 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 661.74 Å 3
Surface Area 512.47 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (glutathion-s-yl)dihydromorphinone
  • dihydromorphinone-glutathione adduct
  • glycine, n-(s-((5alpha,8beta)-4,5-epoxy-3-hydroxy-17-methyl-6-oxomorphinan-8-yl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • sg-dhmo
CAS Number(s)
  • 119995-15-2
InChIKey VVZYRFDANRQOGU-WGVGMDPXSA-N
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