CHEBI:95885 - (2S)-2-[(4R,5R)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-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 (2S)-2-[(4R,5R)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:95885 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H37N3O5S Net Charge 0 Average Mass 503.656 Monoisotopic Mass 503.24539 InChI InChI=1S/C26H37N3O5S/c1-19-15-29(20(2)18-30)35(31,32)26-7-6-22(23-5-4-10-27-14-23)13-24(26)34-25(19)17-28(3)16-21-8-11-33-12-9-21/h4-7,10,13-14,19-21,25,30H,8-9,11-12,15-18H2,1-3H3/t19-,20+,25+/m1/s1 InChIKey IXCMNLOSFSWDKI-RNHFSVANSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CN=CC=C3)O[C@H]1CN(C)CC4CCOCC4)[C@@H](C)CO ChEBI Ontology Outgoing (2S)-2-[(4R,5R)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:95885) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-7264 LINCS View more database links