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CHEBI:113397 - 1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:113397
ChEBI Name1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-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]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C24H36N6O5/c1-17-13-29(18(2)15-31)23(32)6-5-11-30-20(12-25-27-30)16-35-22(17)14-28(3)24(33)26-19-7-9-21(34-4)10-8-19/h7-10,12,17-18,22,31H,5-6,11,13-16H2,1-4H3,(H,26,33)/t17-,18+,22+/m0/s1
InChIKeyZHGRDCMKBHHKPV-NJNPRVFISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:113397) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:113397) is a lactam (CHEBI:24995)
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