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CHEBI:96936 - (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96936
ChEBI Name(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
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DownloadsMolfile
FormulaC24H37N5O4
Net Charge0
Average Mass459.591
Monoisotopic Mass459.28455
SMILESCOc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c1
InChIInChI=1S/C24H37N5O4/c1-18-12-29(19(2)16-30)24(31)9-6-10-28-14-21(25-26-28)17-33-23(18)15-27(3)13-20-7-5-8-22(11-20)32-4/h5,7-8,11,14,18-19,23,30H,6,9-10,12-13,15-17H2,1-4H3/t18-,19+,23-/m1/s1
InChIKeyRQWMQWHENJCHFR-SELNLUPBSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96936) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96936) is a lactam (CHEBI:24995)
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