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CHEBI:126472 - (4R,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one

ChEBI IDCHEBI:126472
ChEBI Name(4R,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
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FormulaC20H28N4O2
Net Charge0
Average Mass356.470
Monoisotopic Mass356.22123
SMILESCC(C)C[C@H]1COCc2cn(nn2)CC[C@@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C20H28N4O2/c1-15(2)10-18-13-26-14-19-12-24(23-22-19)9-8-17(20(25)21-18)11-16-6-4-3-5-7-16/h3-7,12,15,17-18H,8-11,13-14H2,1-2H3,(H,21,25)/t17-,18-/m0/s1
InChIKeyPJFGCUVPYCUKFQ-ROUUACIJSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:126472) is a azamacrocycle (CHEBI:52898)
(4R,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:126472) is a lactam (CHEBI:24995)
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LSM-38036LINCS