S-(2-Chloro-4-Nitrophenyl)-L-Cysteinyl-N-L-γ-Glutamylglycine

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Properties Simple | Detailed

Formula C16H19ClN4O8S
IUPAC Name (2s)-2-amino-5-[[(2r)-2-amino-3-(2-chloro-4-nitro-phenyl)sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
Molecular Mass 462.862 g·mol−1
Heat of Formation -1017.0 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 495.46 Å 3
Surface Area 426.54 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(2r)-2-amino-3-(2-chloro-4-nitro-phenyl)sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-(2-chloro-4-nitrophenyl)sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(2-chloro-4-nitro-phenyl)thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(2-chloro-4-nitrophenyl)thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • n-(s-(2-chloro-4-nitrophenyl)-n-l-gamma-glutamyl- l-cysteinyl)glycine
  • s-(2-chloro-4-nitrophenyl)glutathione
CAS Number(s)
  • 305-60-2
InChIKey OSGIWCVVJPJIHM-QWRGUYRKSA-N
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