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CHEBI:110270 - 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

ChEBI IDCHEBI:110270
ChEBI Name2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
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DownloadsMolfile
FormulaC23H27N3O6
Net Charge0
Average Mass441.484
Monoisotopic Mass441.18999
SMILESCOCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@H]1O2
InChIInChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-2-3-19-17(8-15)18-9-16(31-20(12-27)23(18)32-19)10-21(28)25-11-14-4-6-24-7-5-14/h2-8,16,18,20,23,27H,9-13H2,1H3,(H,25,28)(H,26,29)/t16-,18+,20+,23-/m0/s1
InChIKeyDBZIBAKRSCOVBR-MVIJMRCYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:110270) is a furopyran (CHEBI:74927)
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