CHEBI:126343 - (2R)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-(methylaminomethyl)-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-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:126343 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H31N3O4S Net Charge 0 Average Mass 409.545 Monoisotopic Mass 409.20353 InChI InChI=1S/C20H31N3O4S/c1-15-13-23(16(2)14-24)28(25,26)20-9-8-17(7-6-10-22(4)5)11-18(20)27-19(15)12-21-3/h8-9,11,15-16,19,21,24H,10,12-14H2,1-5H3/t15-,16-,19+/m1/s1 InChIKey YIDCJSIMEGPZQS-MDZRGWNJSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCN(C)C)O[C@H]1CNC)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126343) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-37909 LINCS View more database links