CHEBI:96418 - N-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2R)-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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ChEBI Name N-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
ChEBI ID CHEBI:96418
Stars This entity has been manually annotated by a third party.
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Formula C24H31FN2O6S
Net Charge 0
Average Mass 494.578
Monoisotopic Mass 494.18869
InChI InChI=1S/C24H31FN2O6S/c1-16-12-27(17(2)14-28)34(30,31)23-10-9-18(19-7-5-6-8-20(19)25)11-21(23)33-22(16)13-26(3)24(29)15-32-4/h5-11,16-17,22,28H,12-15H2,1-4H3/t16-,17-,22-/m1/s1
InChIKey YKCDBQLHOOFCLT-DRSNIGMVSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3F)O[C@@H]1CN(C)C(=O)COC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide (CHEBI:96418) is a organofluorine compound (CHEBI:37143)
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