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CHEBI:96874 - 1-[[(8S,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-(3-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:96874
ChEBI Name1-[[(8S,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-(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]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1
InChIInChI=1S/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)9-6-10-29-13-20(26-27-29)16-35-22(17)14-28(3)24(33)25-19-7-5-8-21(11-19)34-4/h5,7-8,11,13,17-18,22,31H,6,9-10,12,14-16H2,1-4H3,(H,25,33)/t17-,18-,22+/m0/s1
InChIKeyYYALKDZNPSDWDC-NPPFBWRTSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,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-(3-methoxyphenyl)-1-methylurea (CHEBI:96874) is a azamacrocycle (CHEBI:52898)
1-[[(8S,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-(3-methoxyphenyl)-1-methylurea (CHEBI:96874) is a lactam (CHEBI:24995)
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