5-Oxo-5-{[(2S)-1-Oxo-3-Phenyl-1-(6-Quinolinylamino)-2-Propanyl]Amino}Pentanoic Acid

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Properties Simple | Detailed

Formula C23H23N3O4
IUPAC Name 5-[[(1s)-1-benzyl-2-oxo-2-(6-quinolylamino)ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 405.446 g·mol−1
Heat of Formation -511.7 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 493.96 Å 3
Surface Area 413.71 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[(1s)-1-(benzyl)-2-keto-2-(6-quinolylamino)ethyl]amino]-5-keto-valeric acid
  • 5-oxo-5-[[(1s)-2-oxo-1-(phenylmethyl)-2-(6-quinolylamino)ethyl]amino]pentanoic acid
  • 5-oxo-5-[[(2s)-1-oxo-3-phenyl-1-(quinolin-6-ylamino)propan-2-yl]amino]pentanoic acid
  • 6-(n-glutarylphenylalanylamido)quinoline
  • 6-gpaaq
  • pentanoic acid, 5-oxo-5-((2-oxo-1-(phenylmethyl)-2-(6-quinolinylamino)ethyl)amino)-, (s)-
CAS Number(s)
  • 80115-54-4
InChIKey MSXUQDFLWOHEIZ-FQEVSTJZSA-N
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