L-γ-Glutamyl-S-(2-Iodobenzyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H22IN3O6S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2-iodophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 523.343 g·mol−1
Heat of Formation -984.6 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 503.58 Å 3
Surface Area 442.68 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2-iodophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2-iodobenzyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2-iodophenyl)methylthio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(2-iodophenyl)methylsulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(2-iodophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  • gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine
  • ibg
InChIKey QFYJAEOZTBVJQM-STQMWFEESA-N
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