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CHEBI:96952 - 3-(4-fluorophenyl)-1-[[(8R,9R)-6-[(2R)-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]-1-methylurea

ChEBI IDCHEBI:96952
ChEBI Name3-(4-fluorophenyl)-1-[[(8R,9R)-6-[(2R)-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]-1-methylurea
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DownloadsMolfile
FormulaC23H33FN6O4
Net Charge0
Average Mass476.553
Monoisotopic Mass476.25473
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H33FN6O4/c1-16-11-30(17(2)14-31)22(32)5-4-10-29-12-20(26-27-29)15-34-21(16)13-28(3)23(33)25-19-8-6-18(24)7-9-19/h6-9,12,16-17,21,31H,4-5,10-11,13-15H2,1-3H3,(H,25,33)/t16-,17-,21+/m1/s1
InChIKeyIBNJZESYQXVKKB-LZJOCLMNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-fluorophenyl)-1-[[(8R,9R)-6-[(2R)-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]-1-methylurea (CHEBI:96952) is a azamacrocycle (CHEBI:52898)
3-(4-fluorophenyl)-1-[[(8R,9R)-6-[(2R)-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]-1-methylurea (CHEBI:96952) is a lactam (CHEBI:24995)
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