CHEBI:110075 - (2R)-2-[(4S,5R)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2R)-2-[(4S,5R)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:110075 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H32N2O4S Net Charge 0 Average Mass 408.557 Monoisotopic Mass 408.20828 InChI InChI=1S/C21H32N2O4S/c1-15(2)7-8-18-9-10-21-19(11-18)27-20(13-22(5)6)16(3)12-23(17(4)14-24)28(21,25)26/h9-11,15-17,20,24H,12-14H2,1-6H3/t16-,17+,20-/m0/s1 InChIKey WPCNIHGKOXVEOP-QKLQHJQFSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC(C)C)O[C@H]1CN(C)C)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4S,5R)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:110075) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-21502 LINCS View more database links