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CHEBI:96213 - N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide

ChEBI IDCHEBI:96213
ChEBI NameN-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
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DownloadsMolfile
FormulaC24H34N4O6S2
Net Charge0
Average Mass538.692
Monoisotopic Mass538.19198
SMILESCC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)S(=O)(=O)c1cn(C)cn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O
InChIInChI=1S/C24H34N4O6S2/c1-17(2)7-8-20-9-10-23-21(11-20)34-22(18(3)12-28(19(4)15-29)35(23,30)31)13-27(6)36(32,33)24-14-26(5)16-25-24/h9-11,14,16-19,22,29H,12-13,15H2,1-6H3/t18-,19+,22-/m0/s1
InChIKeyMFJAJISBYJYJML-JQVVWYNYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:96213) is a aromatic ether (CHEBI:35618)
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