CHEBI:119704 - (2R)-2-[(4S,5R)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)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-[(4S,5R)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:119704 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H35N3O5S Net Charge 0 Average Mass 525.662 Monoisotopic Mass 525.22974 InChI InChI=1S/C28H35N3O5S/c1-20-16-31(21(2)19-32)37(33,34)28-9-8-24(23-6-5-7-25(14-23)35-4)15-26(28)36-27(20)18-30(3)17-22-10-12-29-13-11-22/h5-15,20-21,27,32H,16-19H2,1-4H3/t20-,21+,27-/m0/s1 InChIKey RUWJTSGBQQPZMY-ISCCLHIJSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)OC)O[C@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4S,5R)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:119704) is a methoxybenzenes (CHEBI:51683) Manual Xref Database LSM-31149 LINCS View more database links