L-α-Glutamyl-S-(1,4-Dihydroxy-3-Methyl-2-Naphthyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C21H25N3O8S
IUPAC Name (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(1,4-dihydroxy-3-methyl-2-naphthyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 479.504 g·mol−1
Heat of Formation -1335.3 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 541.93 Å 3
Surface Area 437.33 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(1,4-dihydroxy-3-methyl-2-naphthyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(1,4-dihydroxy-3-methyl-2-naphthyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(1,4-dihydroxy-3-methyl-2-naphthyl)thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-(1,4-dihydroxy-3-methyl-naphthalen-2-yl)sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2-methyl-3-glutathionyl-1,4-naphthoquinone
  • glycine, n-(s-(1,4-dihydroxy-3-methyl-2-naphthalenyl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • m-gssg-nq
CAS Number(s)
  • 88467-65-6
InChIKey CWPZEKLLKJXUHQ-KBPBESRZSA-N
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