N-{(2R)-2-Amino-3-[(4-Chlorobenzyl)Sulfanyl]Propanoyl}-N-[(R)-Carboxy(Phenyl)Methyl]-L-Glutamine

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Properties Simple | Detailed

Formula C23H26ClN3O6S
IUPAC Name (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-chlorophenyl)methylsulfanyl]propanoyl]-[(1r)-2-hydroxy-2-oxo-1-phenylethyl]amino]-5-oxopentanoic acid
Molecular Mass 507.987 g·mol−1
Heat of Formation -968.6 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 579.71 Å 3
Surface Area 434.68 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-chlorobenzyl)thio]propanoyl]-[(1r)-2-hydroxy-2-keto-1-phenyl-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-chlorophenyl)methylsulfanyl]propanoyl]-[(1r)-2-hydroxy-2-oxo-1-phenyl-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[(4-chlorophenyl)methylthio]-1-oxopropyl]-[(1r)-2-hydroxy-2-oxo-1-phenylethyl]amino]-5-oxopentanoic acid
  • gamma-gln-s-(pclbz)cys-phgly
  • gamma-glutaminyl-s-(4-chlorobenzyl)cysteinyl-phenylglycine
  • ggcbcp
  • glycine, n-(s-((4-chlorophenyl)methyl)-n-l-gamma-glutamyl-l-cysteinyl)-d-2-phenyl-
  • n-(s-((4-chlorophenyl)methyl)-n-l-gamma-glutamyl-l-cysteinyl)-d-2-phenylglycine
  • ter-117
CAS Number(s)
  • 152684-55-4
InChIKey YUENTQVIQRRGQD-CMKODMSKSA-N
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