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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > oxepinamide e
organooxygen compound > oxepinamide e

Preferred term

oxepinamide e  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H23N3O4

has_functional_parent

inchi

  • InChI=1S/C22H23N3O4/c1-3-14(2)17-18-24-20-22(28,11-7-8-12-29-20)21(27)25(18)16(19(26)23-17)13-15-9-5-4-6-10-15/h4-12,14,16,28H,3,13H2,1-2H3,(H,23,26)/t14-,16-,22+/m0/s1

inchikey

  • KEGQNQRTFBYGDC-KHJUTWJGSA-N

mass

  • 393.443

monoisotopicmass

  • 393.16886

smiles

  • O=C1N2C(N=C3[C@]1(O)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (7S,10R)-7-benzyl-4-[(2S)-butan-2-yl]-10-hydroxy-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1,3,11,13-tetraene-6,9-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223241

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