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CHEBI:96120 - 1-[[(8R,9S)-6-[(2S)-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-(3-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:96120
ChEBI Name1-[[(8R,9S)-6-[(2S)-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-(3-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC24H36N6O5
Net Charge0
Average Mass488.589
Monoisotopic Mass488.27472
SMILESCOc1cccc(NC(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c1
InChIInChI=1S/C24H36N6O5/c1-17-13-29(18(2)15-31)23(32)9-6-10-30-20(12-25-27-30)16-35-22(17)14-28(3)24(33)26-19-7-5-8-21(11-19)34-4/h5,7-8,11-12,17-18,22,31H,6,9-10,13-16H2,1-4H3,(H,26,33)/t17-,18+,22-/m1/s1
InChIKeyCFCAPIQLQJKCRL-KGVIQGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8R,9S)-6-[(2S)-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-(3-methoxyphenyl)-1-methylurea (CHEBI:96120) is a azamacrocycle (CHEBI:52898)
1-[[(8R,9S)-6-[(2S)-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-(3-methoxyphenyl)-1-methylurea (CHEBI:96120) is a lactam (CHEBI:24995)
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