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CHEBI:106233 - N-[[(4R,5S)-8-bromo-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-methylcyclopropanecarboxamide

ChEBI IDCHEBI:106233
ChEBI NameN-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
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FormulaC19H27BrN2O5S
Net Charge0
Average Mass475.405
Monoisotopic Mass474.08241
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C(=O)C1CC1
InChIInChI=1S/C19H27BrN2O5S/c1-12-9-22(13(2)11-23)28(25,26)18-7-6-15(20)8-16(18)27-17(12)10-21(3)19(24)14-4-5-14/h6-8,12-14,17,23H,4-5,9-11H2,1-3H3/t12-,13+,17-/m1/s1
InChIKeyQHGLBWHFCGZTIC-IIYDPXPESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:106233) is a aromatic ether (CHEBI:35618)
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