CHEBI:106391 - 4-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

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ChEBI Name 4-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide ChEBI ID CHEBI:106391 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H35FN2O6S2 Net Charge 0 Average Mass 566.708 Monoisotopic Mass 566.19206 InChI InChI=1S/C27H35FN2O6S2/c1-19(2)7-6-8-22-9-14-27-25(15-22)36-26(20(3)16-30(21(4)18-31)38(27,34)35)17-29(5)37(32,33)24-12-10-23(28)11-13-24/h9-15,19-21,26,31H,7,16-18H2,1-5H3/t20-,21+,26-/m1/s1 InChIKey ULJKHWQRDIVXQP-YZIHRLCOSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO ChEBI Ontology Outgoing 4-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:106391) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-17750 LINCS View more database links