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CHEBI:100715 - 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide

ChEBI IDCHEBI:100715
ChEBI Name2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC25H31ClN2O6S
Net Charge0
Average Mass523.051
Monoisotopic Mass522.15914
SMILESCc1ccccc1S(=O)(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21
InChIInChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22+,23-/m0/s1
InChIKeyJLFHHDVKVXKGLO-JVSAHFFESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide (CHEBI:100715) is a sulfonamide (CHEBI:35358)
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