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CHEBI:113503 - 3-(3-fluorophenyl)-1-[[(8S,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]-1-methylurea

ChEBI IDCHEBI:113503
ChEBI Name3-(3-fluorophenyl)-1-[[(8S,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]-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)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C23H33FN6O4/c1-16-12-29(17(2)14-31)22(32)8-5-9-30-20(11-25-27-30)15-34-21(16)13-28(3)23(33)26-19-7-4-6-18(24)10-19/h4,6-7,10-11,16-17,21,31H,5,8-9,12-15H2,1-3H3,(H,26,33)/t16-,17-,21+/m0/s1
InChIKeyXWDPBYWAFGHHCX-XGHQBKJUSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3-fluorophenyl)-1-[[(8S,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]-1-methylurea (CHEBI:113503) is a azamacrocycle (CHEBI:52898)
3-(3-fluorophenyl)-1-[[(8S,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]-1-methylurea (CHEBI:113503) is a lactam (CHEBI:24995)
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