(2S,7R,26R,31S)-2,31-Diamino-5,8,11,22,25,28-Hexaoxo-7,26-Bis(Sulfanylmethyl)-6,9,12,16,21,24,27-Heptaazadotriacontane-1,32-Dioic Acid

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Properties Simple | Detailed

Formula C27H49N9O10S2
IUPAC Name (2s)-2-amino-5-[[(1r)-2-[[2-[4-[3-[[2-[[(2r)-2-[[(4s)-4-amino-4-carboxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]propylamino]butylamino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 723.862 g·mol−1
Heat of Formation -2026.2 ± 16.7 kJ·mol−1
Dipole Moment 9.23 ± 1.08 D
Volume 865.25 Å 3
Surface Area 762.37 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-[[2-[4-[3-[[2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]propylamino]butylamino]-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-[[2-[4-[3-[[2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]acetyl]amino]propylamino]butylamino]-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-[[2-[4-[3-[[2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]propylamino]butylamino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-[[2-[4-[3-[2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]propylamino]butylamino]-2-oxo-ethyl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2s,7r,26r,31s)-2,31-diamino-7,26-bis(mercaptomethyl)-5,8,11,22,25,28-hexaoxo-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid
  • bis(gamma-glutamyl-cysteinyl-glycinyl)spermidine
  • bis[[5-glutamyl-cysteinyl-glycyl]-aminopropyl]amine
  • gcg
  • trypanothion
  • ts3
InChIKey PHDOXVGRXXAYEB-VJANTYMQSA-N
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