S-Lactoylglutathione

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Properties Simple | Detailed

Formula C13H21N3O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2r)-2-hydroxypropanoyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 379.386 g·mol−1
Heat of Formation -1471.6 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 433.53 Å 3
Surface Area 383.03 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2r)-2-hydroxypropanoyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(2r)-2-hydroxy-1-oxopropyl]thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(2r)-2-hydroxypropanoyl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
InChIKey VDYDCVUWILIYQF-CSMHCCOUSA-N
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