CHEBI:100098 - 2-[(3R,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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ChEBI Name 2-[(3R,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 ID CHEBI:100098 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H31ClN2O6S Net Charge 0 Average Mass 523.043 Monoisotopic Mass 522.15914 InChI InChI=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+/m1/s1 InChIKey JLFHHDVKVXKGLO-PRTQVNTJSA-N SMILES CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O ChEBI Ontology Outgoing 2-[(3R,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:100098) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-11477 LINCS View more database links