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CHEBI:126756 - (2R)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:126756
ChEBI Name(2R)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC26H36N4O4S
Net Charge0
Average Mass500.665
Monoisotopic Mass500.24573
SMILESC[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccn1
InChIInChI=1S/C26H36N4O4S/c1-20-16-30(21(2)19-31)35(32,33)26-12-11-22(9-8-14-28(3)4)15-24(26)34-25(20)18-29(5)17-23-10-6-7-13-27-23/h6-7,10-13,15,20-21,25,31H,14,16-19H2,1-5H3/t20-,21-,25+/m1/s1
InChIKeyTWGOAFFDHARLDT-OTPAQWSUSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126756) is a aminoalkylpyridine (CHEBI:38198)
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