L-γ-Glutamyl-S-(Trichlorovinyl)Cysteinylglycine

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Properties Simple | Detailed

Formula C12H16Cl3N3O6S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(1,2,2-trichlorovinylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 436.696 g·mol−1
Heat of Formation -1139.8 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 457.39 Å 3
Surface Area 385.33 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-keto-1-[(1,2,2-trichlorovinylthio)methyl]ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(1,2,2-trichlorovinylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-[(1,2,2-trichlorovinylthio)methyl]ethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-(1,2,2-trichloroethenylsulfanyl)propan-2-yl]amino]-5-oxo-pentanoic acid
InChIKey ZGVLZGGEFXEFQB-WDSKDSINSA-N
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Elements C Cl H O N S