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CHEBI:95997 - N-[[(4R,5R)-8-(1-cyclohexenyl)-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,1-dimethyl-4-imidazolesulfonamide

ChEBI IDCHEBI:95997
ChEBI NameN-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
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DownloadsMolfile
FormulaC25H36N4O6S2
Net Charge0
Average Mass552.719
Monoisotopic Mass552.20763
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C25H36N4O6S2/c1-18-13-29(19(2)16-30)36(31,32)24-11-10-21(20-8-6-5-7-9-20)12-22(24)35-23(18)14-28(4)37(33,34)25-15-27(3)17-26-25/h8,10-12,15,17-19,23,30H,5-7,9,13-14,16H2,1-4H3/t18-,19+,23+/m1/s1
InChIKeyCFEPXBTYRQWTEY-MSYCTHLASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:95997) is a aromatic ether (CHEBI:35618)
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