L-γ-Glutamyl-N-[S-(4-Methylbenzyl)-L-Cysteinyl]-Beta-Alanine

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Properties Simple | Detailed

Formula C19H27N3O6S
IUPAC Name (2s)-2-amino-5-[[(2r)-2-amino-3-(p-tolylmethylsulfanyl)propanoyl]-(2-carboxyethyl)amino]-5-oxo-pentanoic acid
Molecular Mass 425.499 g·mol−1
Heat of Formation -1141.6 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 517.57 Å 3
Surface Area 373.75 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-methylbenzyl)thio]propanoyl]-(2-carboxyethyl)amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-(2-carboxyethyl)amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-(2-carboxyethyl)amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-methylphenyl)methylthio]-1-oxopropyl]-(2-carboxyethyl)amino]-5-oxopentanoic acid
  • ggbca
CAS Number(s)
  • 152684-54-3
InChIKey CBPVERYFFKJNMB-GJZGRUSLSA-N
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