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CHEBI:122495 - 4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide

ChEBI IDCHEBI:122495
ChEBI Name4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
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FormulaC22H24FN3O4
Net Charge0
Average Mass413.449
Monoisotopic Mass413.17508
SMILESO=C(C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1
InChIInChI=1S/C22H24FN3O4/c23-17-3-1-16(2-4-17)22(29)26-19-6-5-18(30-20(19)14-27)13-21(28)25-12-9-15-7-10-24-11-8-15/h1-8,10-11,18-20,27H,9,12-14H2,(H,25,28)(H,26,29)/t18-,19+,20-/m1/s1
InChIKeyPELUPFPZEXCELD-HSALFYBXSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide (CHEBI:122495) is a carbonyl compound (CHEBI:36586)
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide (CHEBI:122495) is a organohalogen compound (CHEBI:17792)
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