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CHEBI:96579 - N-[[(4S,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide

Default Structure
ChEBI IDCHEBI:96579
ChEBI NameN-[[(4S,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
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DownloadsMolfile
FormulaC24H31FN2O6S
Net Charge0
Average Mass494.585
Monoisotopic Mass494.18869
SMILESCOCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C24H31FN2O6S/c1-16-12-27(17(2)14-28)34(30,31)23-10-9-18(19-7-5-6-8-20(19)25)11-21(23)33-22(16)13-26(3)24(29)15-32-4/h5-11,16-17,22,28H,12-15H2,1-4H3/t16-,17-,22+/m0/s1
InChIKeyYKCDBQLHOOFCLT-PNLZDCPESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide (CHEBI:96579) is a organofluorine compound (CHEBI:37143)
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