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CHEBI:122952 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide

ChEBI IDCHEBI:122952
ChEBI Name2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC28H27F2N3O5
Net Charge0
Average Mass523.536
Monoisotopic Mass523.19188
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F
InChIInChI=1S/C28H27F2N3O5/c29-18-1-3-23(30)17(10-18)14-32-26(35)13-20-12-22-21-11-19(33-27(36)9-16-5-7-31-8-6-16)2-4-24(21)38-28(22)25(15-34)37-20/h1-8,10-11,20,22,25,28,34H,9,12-15H2,(H,32,35)(H,33,36)/t20-,22+,25+,28-/m1/s1
InChIKeyQUIMTGQEYLWUJB-QITUIKSUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide (CHEBI:122952) is a furopyran (CHEBI:74927)
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