(7R,8R,11S)-N~7~-Hydroxy-8-Isobutyl-N~11~-Methyl-9-Oxo-2-Oxa-10-Azabicyclo[11.2.2]Heptadeca-1(15),13,16-Triene-7,11-Dicarboxamide

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Properties Simple | Detailed

Formula C22H33N3O5
IUPAC Name (3s,6r,7r)-7-(hydroxycarbamoyl)-6-isobutyl-n-methyl-5-oxo-12-oxa-4-azabicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-3-carboxamide
Molecular Mass 419.515 g·mol−1
Heat of Formation -856.0 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 523.61 Å 3
Surface Area 387.76 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r,7r)-7-(hydroxycarbamoyl)-6-isobutyl-5-keto-n-methyl-12-oxa-4-azabicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-3-carboxamide
  • (3s,6r,7r)-7-(hydroxycarbamoyl)-6-isobutyl-n-methyl-5-oxo-12-oxa-4-azabicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-3-carboxamide
  • (3s,6r,7r)-7-[(hydroxyamino)-oxomethyl]-6-isobutyl-n-methyl-5-oxo-12-oxa-4-azabicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-3-carboxamide
  • (3s,6r,7r)-n'-hydroxy-n-methyl-6-(2-methylpropyl)-5-oxo-12-oxa-4-azabicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-3,7-dicarboxamide
InChIKey BJOZETKUSDMMAN-QRVBRYPASA-N
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