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CHEBI:106141 - N-[[(4S,5R)-8-bromo-2-[(2R)-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:106141
ChEBI NameN-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
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FormulaC19H27BrN2O5S
Net Charge0
Average Mass475.405
Monoisotopic Mass474.08241
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(Br)ccc2S1(=O)=O
InChIInChI=1S/C19H27BrN2O5S/c1-12-9-22(13(2)11-23)28(25,26)18-7-6-15(20)8-16(18)27-17(12)10-21(3)19(24)14-4-5-14/h6-8,12-14,17,23H,4-5,9-11H2,1-3H3/t12-,13+,17-/m0/s1
InChIKeyQHGLBWHFCGZTIC-AHIWAGSCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:106141) is a aromatic ether (CHEBI:35618)
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