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CHEBI:112602 - 3-(2-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:112602
ChEBI Name3-(2-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)Nc1ccccc1F
InChIInChI=1S/C23H33FN6O4/c1-16-12-29(17(2)14-31)22(32)9-6-10-30-18(11-25-27-30)15-34-21(16)13-28(3)23(33)26-20-8-5-4-7-19(20)24/h4-5,7-8,11,16-17,21,31H,6,9-10,12-15H2,1-3H3,(H,26,33)/t16-,17-,21+/m0/s1
InChIKeyHYXYHDZNHQRBPW-XGHQBKJUSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-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:112602) is a azamacrocycle (CHEBI:52898)
3-(2-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:112602) is a lactam (CHEBI:24995)
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