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CHEBI:113456 - 3-fluoro-N-[[(8S,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]-N-methylbenzenesulfonamide

ChEBI IDCHEBI:113456
ChEBI Name3-fluoro-N-[[(8S,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]-N-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC22H32FN5O5S
Net Charge0
Average Mass497.593
Monoisotopic Mass497.21082
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccc(F)c2)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C22H32FN5O5S/c1-16-11-28(17(2)14-29)22(30)8-5-9-27-12-19(24-25-27)15-33-21(16)13-26(3)34(31,32)20-7-4-6-18(23)10-20/h4,6-7,10,12,16-17,21,29H,5,8-9,11,13-15H2,1-3H3/t16-,17+,21-/m0/s1
InChIKeyHYLLQKBLPQWSSO-FVJLSDCUSA-N
ChEBI Ontology
Outgoing Relation(s)
3-fluoro-N-[[(8S,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]-N-methylbenzenesulfonamide (CHEBI:113456) is a azamacrocycle (CHEBI:52898)
3-fluoro-N-[[(8S,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]-N-methylbenzenesulfonamide (CHEBI:113456) is a lactam (CHEBI:24995)
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