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CHEBI:128294 - (4S,7S)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one

ChEBI IDCHEBI:128294
ChEBI Name(4S,7S)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
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DownloadsMolfile
FormulaC21H30N4O3
Net Charge0
Average Mass386.496
Monoisotopic Mass386.23179
SMILESCOc1ccc(C[C@H]2CCn3cc(nn3)COC[C@H](CC(C)C)NC2=O)cc1
InChIInChI=1S/C21H30N4O3/c1-15(2)10-18-13-28-14-19-12-25(24-23-19)9-8-17(21(26)22-18)11-16-4-6-20(27-3)7-5-16/h4-7,12,15,17-18H,8-11,13-14H2,1-3H3,(H,22,26)/t17-,18+/m1/s1
InChIKeyXBRFMSFVCPUMGC-MSOLQXFVSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,7S)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:128294) is a azamacrocycle (CHEBI:52898)
(4S,7S)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:128294) is a lactam (CHEBI:24995)
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LSM-39849LINCS