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CHEBI:119595 - N-[[(4R,5S)-8-(2-cyclopropylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide

ChEBI IDCHEBI:119595
ChEBI NameN-[[(4R,5S)-8-(2-cyclopropylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
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DownloadsMolfile
FormulaC21H30N2O6S2
Net Charge0
Average Mass470.613
Monoisotopic Mass470.15453
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C21H30N2O6S2/c1-15-12-23(16(2)14-24)31(27,28)21-10-9-18(8-7-17-5-6-17)11-19(21)29-20(15)13-22(3)30(4,25)26/h9-11,15-17,20,24H,5-6,12-14H2,1-4H3/t15-,16+,20-/m1/s1
InChIKeyMCOJFHYNZBKTQP-GQIGUUNPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5S)-8-(2-cyclopropylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide (CHEBI:119595) is a aromatic ether (CHEBI:35618)
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