S-[3-(2-Aminoethyl)-4,5-Dioxo-4,5-Dihydro-1H-Indol-7-Yl]-L-Cysteinyl-N-L-γ-Glutamylglycine

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Properties Simple | Detailed

Formula C20H25N5O8S
IUPAC Name carbon dioxide; cyclopropanone; formonitrile; 2-imino-3-[3-(2-λ1-azanylethyl)-4,5-dioxo-indol-7-yl]sulfanyl-propanoyl isocyanide
Molecular Mass 495.506 g·mol−1
Heat of Formation -1175.3 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 555.3 Å 3
Surface Area 467.88 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[[3-(2-aminoethyl)-4,5-diketo-1h-indol-7-yl]thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[[3-(2-aminoethyl)-4,5-dioxo-1h-indol-7-yl]sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[[3-(2-aminoethyl)-4,5-dioxo-1h-indol-7-yl]sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[[3-(2-aminoethyl)-4,5-dioxo-1h-indol-7-yl]thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • 7-s-glutathionyl-tryptamine-4,5-dione
  • 7-s-glutathionyltryptamine-4,5-dione
  • glycine, n-(s-(3-(2-aminoethyl)-4,5-dihydro-4,5-dioxo-1h-indol-7-yl)-n-l-gamma-glutamyl-l-cysteinyl)-
CAS Number(s)
  • 130369-71-0
InChIKey VTJPYXXYZKRIQB-QWRGUYRKSA-N
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