CHEBI:114148 - (2S)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2S)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:114148 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H36N2O7S Net Charge 0 Average Mass 568.683 Monoisotopic Mass 568.22432 InChI InChI=1S/C30H36N2O7S/c1-20-15-32(21(2)18-33)40(34,35)30-12-10-23(24-7-5-6-8-25(24)36-4)14-28(30)39-29(20)17-31(3)16-22-9-11-26-27(13-22)38-19-37-26/h5-14,20-21,29,33H,15-19H2,1-4H3/t20-,21+,29+/m1/s1 InChIKey YWADXHNDBHGHLS-CGQTXMLISA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO ChEBI Ontology Outgoing (2S)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114148) is a benzodioxoles (CHEBI:38298) Manual Xref Database LSM-25579 LINCS View more database links