L-γ-Glutamyl-S-(3-Iodobenzyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H22IN3O6S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(3-iodophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 523.343 g·mol−1
Heat of Formation -1010.9 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 510.09 Å 3
Surface Area 443.07 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(3-iodophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(3-iodobenzyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(3-iodophenyl)methylthio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(3-iodophenyl)methylsulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(3-iodophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  • s-(3-iodobenzyl)glutathione
InChIKey AHWSFXKKIDTZBI-STQMWFEESA-N
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