N-Butyryl-L-γ-Glutamyl-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C14H23N3O7S
IUPAC Name (2s)-2-(butanoylamino)-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 377.413 g·mol−1
Heat of Formation -1419.4 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 449.36 Å 3
Surface Area 370.88 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(butanoylamino)-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-(butanoylamino)-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2s)-2-butyramido-5-[[(1r)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid
  • (2s)-5-[[(1r)-2-(carboxymethylamino)-1-(mercaptomethyl)-2-oxoethyl]amino]-5-oxo-2-(1-oxobutylamino)pentanoic acid
  • gsh-c4
  • n-butanoyl-.alpha.-glutamyl-cysteinyl-glycline
InChIKey DGUXHHQFPBXNAB-IUCAKERBSA-N
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