L-γ-Glutamyl-S-[(9S,10S)-10-Hydroxy-9,10-Dihydro-9-Phenanthrenyl]-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C24H27N3O7S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 501.552 g·mol−1
Heat of Formation -1149.5 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 580.64 Å 3
Surface Area 489.05 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  • (9s,10s)-9-(s-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene
  • gps
InChIKey JNNIZILNBMPOAC-GPHNJDIKSA-N
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