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CHEBI:98380 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:98380
ChEBI Name2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC28H29FN2O7S
Net Charge0
Average Mass556.612
Monoisotopic Mass556.16795
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCc4ccccc4F)O[C@H](CO)[C@H]2O3)c1
InChIInChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26-,28+/m1/s1
InChIKeyUQAGOAYYXRCKNS-GUSOMZPTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:98380) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-9759LINCS