CHEBI:106174 - N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

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ChEBI Name N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide ChEBI ID CHEBI:106174 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H36N2O7S2 Net Charge 0 Average Mass 564.717 Monoisotopic Mass 564.19639 InChI InChI=1S/C27H36N2O7S2/c1-6-7-8-10-22-13-14-27-25(15-22)36-26(20(2)17-29(21(3)19-30)38(27,33)34)18-28(4)37(31,32)24-12-9-11-23(16-24)35-5/h9,11-16,20-21,26,30H,6-7,17-19H2,1-5H3/t20-,21+,26-/m1/s1 InChIKey MIBYCFWLJSOUAV-YZIHRLCOSA-N SMILES CCCC#CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@H](O2)CN(C)S(=O)(=O)C3=CC=CC(=C3)OC)C)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:106174) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-17535 LINCS View more database links