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Chemistry, part 1

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Concept information

organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > protuboxepin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > protuboxepin a
organooxygen compound > carboxamide > lactam > protuboxepin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > protuboxepin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > protuboxepin a
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > protuboxepin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > protuboxepin a
organic heterocyclic compound > organonitrogen heterocyclic compound > protuboxepin a

Preferred term

protuboxepin a  

Type

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

Broader concept

charge

  • 0

formula

  • C22H23N3O3

has_role

inchi

  • InChI=1S/C22H23N3O3/c1-3-14(2)18-19-24-21-16(11-7-8-12-28-21)22(27)25(19)17(20(26)23-18)13-15-9-5-4-6-10-15/h4-12,14,17-18H,3,13H2,1-2H3,(H,23,26)/t14?,17-,18+/m1/s1

inchikey

  • UOBOWSHNMYJJFQ-QIWLAUOQSA-N

mass

  • 377.43630

monoisotopicmass

  • 377.17394

smiles

  • CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)n2c1nc1OC=CC=Cc1c2=O

subset

  • 3_STAR

synonym EXACT

  • (8R,11S)-8-benzyl-11-(butan-2-yl)-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68055

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