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CHEBI:96859 - 1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:96859
ChEBI Name1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC24H36N6O5
Net Charge0
Average Mass488.589
Monoisotopic Mass488.27472
SMILESCOc1ccc(NC(=O)N(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)6-5-11-29-13-20(26-27-29)16-35-22(17)14-28(3)24(33)25-19-7-9-21(34-4)10-8-19/h7-10,13,17-18,22,31H,5-6,11-12,14-16H2,1-4H3,(H,25,33)/t17-,18+,22-/m1/s1
InChIKeyOFOUXQSPHPQRAF-KGVIQGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:96859) is a azamacrocycle (CHEBI:52898)
1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:96859) is a lactam (CHEBI:24995)
Manual XrefsDatabases
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