(3S)-3-{[(2R)-6-{[(8-Hydroxy-2-Quinolinyl)Carbonyl]Amino}-2-(2-Thienyl)Hexanoyl]Amino}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C24H25N3O6S
IUPAC Name (3s)-3-[[(2r)-6-[(8-hydroxyquinoline-2-carbonyl)amino]-2-(2-thienyl)hexanoyl]amino]-4-oxo-butanoic acid
Molecular Mass 483.537 g·mol−1
Heat of Formation -821.2 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 560.42 Å 3
Surface Area 485.34 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[[(2r)-6-[(8-hydroxyquinolin-2-yl)carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxo-butanoic acid
  • (3s)-3-[[(2r)-6-[(8-hydroxyquinoline-2-carbonyl)amino]-2-(2-thienyl)hexanoyl]amino]-4-keto-butyric acid
  • (3s)-3-[[(2r)-6-[(8-hydroxyquinoline-2-carbonyl)amino]-2-(2-thienyl)hexanoyl]amino]-4-oxo-butanoic acid
  • (3s)-3-[[(2r)-6-[(8-hydroxyquinoline-2-carbonyl)amino]-2-thiophen-2-ylhexanoyl]amino]-4-oxobutanoic acid
  • (3s)-3-[[(2r)-6-[[(8-hydroxy-2-quinolyl)-oxomethyl]amino]-1-oxo-2-(2-thienyl)hexyl]amino]-4-oxobutanoic acid
  • 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyri acid
  • hqc
InChIKey QXMPYGCWDMKRMF-IRXDYDNUSA-N
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