CHEBI:128850 - (2R)-2-[(4R,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-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-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:128850 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H36N4O4S Net Charge 0 Average Mass 500.656 Monoisotopic Mass 500.24573 InChI InChI=1S/C26H36N4O4S/c1-19-14-30(20(2)17-31)35(32,33)26-10-9-23(22-7-5-4-6-8-22)11-24(26)34-25(19)16-29(3)15-21-12-27-18-28-13-21/h7,9-13,18-20,25,31H,4-6,8,14-17H2,1-3H3/t19-,20-,25+/m1/s1 InChIKey CGOCMQHCURDBDJ-FHAGJXEFSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)CC4=CN=CN=C4)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4R,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:128850) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-40402 LINCS View more database links