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CHEBI:98718 - 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

ChEBI IDCHEBI:98718
ChEBI Name2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
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DownloadsMolfile
FormulaC23H28N2O6S
Net Charge0
Average Mass460.552
Monoisotopic Mass460.16681
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCCc3ccccc3)O[C@H](CO)[C@H]1O2
InChIInChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19+,21+,23-/m0/s1
InChIKeyTVZJESBMTOHXDE-GBPFJNKXSA-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]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:98718) is a sulfonamide (CHEBI:35358)
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