S-[(1E)-1,2-Dichloro-3,3,3-Trifluoro-1-Propen-1-Yl]-L-Cysteinyl-N-L-γ-Glutamylglycine

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Properties Simple | Detailed

Formula C13H16Cl2F3N3O6S
IUPAC Name (2s)-2-amino-5-[[(2r)-2-amino-3-[(e)-1,2-dichloro-3,3,3-trifluoro-prop-1-enyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
Molecular Mass 470.249 g·mol−1
Heat of Formation -1786.1 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 468.28 Å 3
Surface Area 365.71 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(e)-1,2-dichloro-3,3,3-trifluoro-prop-1-enyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(e)-1,2-dichloro-3,3,3-trifluoroprop-1-enyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[[(e)-1,2-dichloro-3,3,3-trifluoro-prop-1-enyl]thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[[(e)-1,2-dichloro-3,3,3-trifluoroprop-1-enyl]thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • dctfpg
  • glycine, n-(s-(1,2-dichloro-3,3,3-trifluoro-1-propenyl)-n-l-gamma-glutamyl-l-cysteinyl)-, (e)-
  • s-(1,2-dichloro-3,3,3-trifluoro-1-propenyl)glutathione
CAS Number(s)
  • 122652-97-5
InChIKey KDFMEOFBRCYNKT-BURXGOFRSA-N
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