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CHEBI:117314 - 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:117314
ChEBI Name2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-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)NCc4cccc(F)c4)O[C@@H](CO)[C@H]2O3)c1
InChIInChI=1S/C28H29FN2O7S/c1-36-20-6-3-7-22(12-20)39(34,35)31-19-8-9-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-4-2-5-18(29)10-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24-,26+,28+/m1/s1
InChIKeyGERXZWRQFCUSQI-DZXBDMBVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:117314) is a sulfonamide (CHEBI:35358)
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LSM-28763LINCS