N-[(5S)-5-Ammonio-5-Carboxypentanoyl]-L-Cysteinyl-S-Methyl-D-Cysteine

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Properties Simple | Detailed

Formula C13H25N3O6S2
IUPAC Name [(2s)-1-hydroxy-6-[[(2r)-1-[[(2s)-1-hydroxy-3-methylsulfanyl-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,6-dioxohexan-2-yl]azanium
Molecular Mass 383.484 g·mol−1
Heat of Formation -1127.8 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 462.73 Å 3
Surface Area 403.12 Å 2
Point Group Symmetry C1
Synonyms
  • [(1s)-1-carboxy-5-[[(1r)-2-[[(1s)-2-hydroxy-1-(methylsulfanylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentyl]ammonium
  • [(1s)-1-carboxy-5-[[(1r)-2-[[(1s)-2-hydroxy-1-[(methylthio)methyl]-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-5-oxopentyl]ammonium
  • [(1s)-1-carboxy-5-[[(1r)-2-[[(1s)-2-hydroxy-2-keto-1-[(methylthio)methyl]ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-pentyl]ammonium
  • [(2s)-1-hydroxy-6-[[(2r)-1-[[(2s)-1-hydroxy-3-methylsulfanyl-1-oxo-propan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-1,6-dioxo-hexan-2-yl]azanium
  • acc
  • n-[n-[2-amino-6-oxo-hexanoic acid-6-yl]cysteinyl]-s-methylcysteine
InChIKey FTCBRKCNMSXWJP-XHNCKOQMSA-O
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