CHEBI:114030 - (2R)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2R)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:114030 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H27N3O4S Net Charge 0 Average Mass 405.513 Monoisotopic Mass 405.17223 InChI InChI=1S/C20H27N3O4S/c1-14-12-23(15(2)13-24)28(25,26)20-7-6-16(17-5-4-8-22-10-17)9-18(20)27-19(14)11-21-3/h4-10,14-15,19,21,24H,11-13H2,1-3H3/t14-,15-,19+/m1/s1 InChIKey GQINMCYFQWJTAV-CLCXKQKWSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CN=CC=C3)O[C@H]1CNC)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114030) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-25462 LINCS View more database links