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CHEBI:97860 - 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide

ChEBI IDCHEBI:97860
ChEBI Name2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-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)NCc3cccnc3)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20+,23+/m1/s1
InChIKeyHQZJCXNXJWTAKA-DUCQWWKISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide (CHEBI:97860) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-9239LINCS