Lumota

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Formula C25H24N5O6S
IUPAC Name (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[[(2r)-2-[(4-oxo-1h-1,5-naphthyridin-5-ium-8a-ide-3-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 522.553 g·mol−1
Heat of Formation -621.6 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 577.8 Å 3
Surface Area 471.95 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[[(2r)-1-oxo-2-[[oxo-(4-oxo-1h-1,5-naphthyridin-3-yl)methyl]amino]-2-phenylethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[[(2r)-2-[(4-oxo-1h-1,5-naphthyridin-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[[(2r)-2-[(4-oxo1h-1,5-naphthyridine-3-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-7-keto-6-[[(2r)-2-[(4-keto1h-1,5-naphthyridine-3-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKey XMQVYNAURODYCQ-SLFBBCNNSA-N
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