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CHEBI:111830 - 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

ChEBI IDCHEBI:111830
ChEBI Name2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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DownloadsMolfile
FormulaC27H34N2O6S
Net Charge0
Average Mass514.644
Monoisotopic Mass514.21376
SMILESCc1ccc(S(=O)(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)N4CCc5ccccc5C4)CC[C@@H]32)cc1
InChIInChI=1S/C27H34N2O6S/c1-19-6-9-24(10-7-19)36(32,33)29-16-22(30)17-34-18-26-25(29)11-8-23(35-26)14-27(31)28-13-12-20-4-2-3-5-21(20)15-28/h2-7,9-10,22-23,25-26,30H,8,11-18H2,1H3/t22-,23+,25-,26+/m0/s1
InChIKeyFLEYPJQSSYMTAJ-ALNDXVPUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:111830) is a sulfonamide (CHEBI:35358)
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