(3S)-4-Oxo-3-({[6-({[4-(2-Quinoxalinylamino)Benzoyl]Amino}Methyl)-3-Pyridinyl]Carbonyl}Amino)Butanoic Acid

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Properties Simple | Detailed

Formula C26H22N6O5
IUPAC Name (3s)-4-oxo-3-[[6-[[[4-(quinoxalin-2-ylamino)benzoyl]amino]methyl]pyridine-3-carbonyl]amino]butanoic acid
Molecular Mass 498.490 g·mol−1
Heat of Formation -354.2 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 560.8 Å 3
Surface Area 501.9 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-4-keto-3-[[6-[[[4-(quinoxalin-2-ylamino)benzoyl]amino]methyl]pyridine-3-carbonyl]amino]butyric acid
  • (3s)-4-oxo-3-[[6-[[[4-(quinoxalin-2-ylamino)benzoyl]amino]methyl]pyridine-3-carbonyl]amino]butanoic acid
  • (3s)-4-oxo-3-[[6-[[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]methyl]pyridin-3-yl]carbonylamino]butanoic acid
  • (3s)-4-oxo-3-[[oxo-[6-[[[oxo-[4-(2-quinoxalinylamino)phenyl]methyl]amino]methyl]-3-pyridyl]methyl]amino]butanoic acid
  • 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
  • oqb
InChIKey GOTFAMYWTAZALY-FQEVSTJZSA-N
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