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CHEBI:117438 - 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

ChEBI IDCHEBI:117438
ChEBI Name2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-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)NCc3ccncc3)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C21H25N3O6S/c1-31(27,28)24-14-2-3-18-16(8-14)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-13-4-6-22-7-5-13/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19-,21-/m0/s1
InChIKeyIMSLJZJFFZYXRC-MRCYXTNMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:117438) is a sulfonamide (CHEBI:35358)
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