Trypanothione

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Properties Simple | Detailed

Formula C27H47N9O10S2
IUPAC Name (2s)-2-amino-5-[[(4r,23r)-4-[[(4s)-4-amino-4-carboxy-butanoyl]amino]-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentazacyclotetracos-23-yl]amino]-5-oxo-pentanoic acid
Molecular Mass 721.846 g·mol−1
Heat of Formation -1936.2 ± 16.7 kJ·mol−1
Dipole Moment 11.34 ± 1.08 D
Volume 871.82 Å 3
Surface Area 645.73 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(4r,23r)-4-[[(4s)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentazacyclotetracos-23-yl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(4r,23r)-4-[[(4s)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-5,8,19,22-tetraketo-1,2-dithia-6,9,13,18,21-pentazacyclotetracos-23-yl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(4r,23r)-4-[[(4s)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentazacyclotetracos-23-yl]amino]-5-oxo-pentanoic acid
  • (2s,2's)-5,5'-{[(4r,23r)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid)
  • 2-amino-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyric acid
  • glycinamide, l-gamma-glutamyl-l-cysteinyl-n-(3-((4-((n-(n-l-gamma-glutamyl-l-cysteinyl)glycyl)amino)butyl)amino)propyl)-, cyclic (2-3)-disulfide
  • n(1),n(8)-bis(gamma-glu-hemi-cys-gly)sperimidine
  • n(1),n(8)-bis(gamma-glutamyl-hemicystinyl-glycyl)spermidine
  • ring with glutathione and spermidine
  • trypanothiondisulfid
  • ts2
CAS Number(s)
  • 96304-42-6
InChIKey LZMSXDHGHZKXJD-VJANTYMQSA-N
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