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CHEBI:113383 - 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-(2-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:113383
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-(2-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC24H36N6O5
Net Charge0
Average Mass488.589
Monoisotopic Mass488.27472
SMILESCOc1ccccc1NC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)10-7-11-29-13-19(26-27-29)16-35-22(17)14-28(3)24(33)25-20-8-5-6-9-21(20)34-4/h5-6,8-9,13,17-18,22,31H,7,10-12,14-16H2,1-4H3,(H,25,33)/t17-,18-,22+/m0/s1
InChIKeyZODITPIVHHGZAH-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-(2-methoxyphenyl)-1-methylurea (CHEBI:113383) 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-(2-methoxyphenyl)-1-methylurea (CHEBI:113383) is a lactam (CHEBI:24995)
Manual XrefsDatabases
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