CHEBI:95918 - (2R)-2-[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-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-[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:95918 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H36N4O4S Net Charge 0 Average Mass 500.656 Monoisotopic Mass 500.24573 InChI InChI=1S/C26H36N4O4S/c1-20-16-30(21(2)19-31)35(32,33)26-9-8-22(7-6-14-28(3)4)15-24(26)34-25(20)18-29(5)17-23-10-12-27-13-11-23/h8-13,15,20-21,25,31H,14,16-19H2,1-5H3/t20-,21-,25-/m1/s1 InChIKey HVNBSBCCDAKDPU-DNRQZRRGSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCN(C)C)O[C@@H]1CN(C)CC3=CC=NC=C3)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:95918) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-7297 LINCS View more database links