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CHEBI:98173 - 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide

ChEBI IDCHEBI:98173
ChEBI Name2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
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DownloadsMolfile
FormulaC21H25N3O6S
Net Charge0
Average Mass447.513
Monoisotopic Mass447.14641
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@H]1O2
InChIInChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19+,21-/m0/s1
InChIKeyJZVGIVMTJSWJDH-RWCSOYMTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide (CHEBI:98173) is a sulfonamide (CHEBI:35358)
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