CHEBI:128312 - (4R,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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ChEBI Name (4R,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 ID CHEBI:128312
Stars This entity has been manually annotated by a third party.
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Formula C21H30N4O3
Net Charge 0
Average Mass 386.489
Monoisotopic Mass 386.23179
InChI InChI=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-/m0/s1
InChIKey XBRFMSFVCPUMGC-ROUUACIJSA-N
SMILES CC(C)C[C@H]1COCC2=CN(CC[C@H](C(=O)N1)CC3=CC=C(C=C3)OC)N=N2
ChEBI Ontology
Outgoing (4R,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:128312) is a azamacrocycle (CHEBI:52898)
(4R,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:128312) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-39867 LINCS
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