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CHEBI:109997 - (2S)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:109997
ChEBI Name(2S)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC21H32N2O4S
Net Charge0
Average Mass408.564
Monoisotopic Mass408.20828
SMILESCC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
InChIInChI=1S/C21H32N2O4S/c1-15(2)7-8-18-9-10-21-19(11-18)27-20(13-22(5)6)16(3)12-23(17(4)14-24)28(21,25)26/h9-11,15-17,20,24H,12-14H2,1-6H3/t16-,17+,20+/m1/s1
InChIKeyWPCNIHGKOXVEOP-UWVAXJGDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:109997) is a aromatic ether (CHEBI:35618)
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