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CHEBI:117368 - 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide

ChEBI IDCHEBI:117368
ChEBI Name2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC23H27N3O6
Net Charge0
Average Mass441.484
Monoisotopic Mass441.18999
SMILESCOCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C23H27N3O6/c1-30-13-22(29)26-14-5-6-19-17(8-14)18-9-16(31-20(12-27)23(18)32-19)10-21(28)25-11-15-4-2-3-7-24-15/h2-8,16,18,20,23,27H,9-13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20+,23+/m1/s1
InChIKeyCLWRRFDHWRUPJJ-DUCQWWKISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide (CHEBI:117368) is a furopyran (CHEBI:74927)
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