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CHEBI:102402 - 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclohexylmethyl)acetamide

ChEBI IDCHEBI:102402
ChEBI Name2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclohexylmethyl)acetamide
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DownloadsMolfile
FormulaC25H34F3N3O6S
Net Charge0
Average Mass561.623
Monoisotopic Mass561.21204
SMILESCN1C(=O)c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21
InChIInChI=1S/C25H34F3N3O6S/c1-31-20-9-8-18(12-23(32)29-13-16-5-3-2-4-6-16)37-22(20)14-36-21-10-7-17(11-19(21)24(31)33)30-38(34,35)15-25(26,27)28/h7,10-11,16,18,20,22,30H,2-6,8-9,12-15H2,1H3,(H,29,32)/t18-,20+,22-/m1/s1
InChIKeyPOTYIVUJTYUDPC-KAGYGMCKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclohexylmethyl)acetamide (CHEBI:102402) is a sulfonamide (CHEBI:35358)
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