L-γ-Glutamyl-3-[(Phenylsulfonyl)Sulfanyl]-L-Alanylglycine

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Properties Simple | Detailed

Formula C16H21N3O8S2
IUPAC Name (2s)-2-amino-5-[[(1r)-1-(benzenesulfonylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 447.483 g·mol−1
Heat of Formation -1323.4 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 499.16 Å 3
Surface Area 378.12 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(phenylsulfonylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-[(phenylsulfonylthio)methyl]ethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-phenylsulfonylsulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-(phenylsulfonylthio)propanoyl]amino]acetic acid
  • s-(phenylsulfonyl)glutathione
  • s-phenylsulfonylglutathione
CAS Number(s)
  • 97512-84-0
InChIKey KOMLWPGVWDZNIG-RYUDHWBXSA-N
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