CHEBI:109908 - (2R)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2R)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:109908 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H37FN2O5S Net Charge 0 Average Mass 544.680 Monoisotopic Mass 544.24072 InChI InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22-,28-/m1/s1 InChIKey WFHCWVTWIFSLHF-DQCZWYHMSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@@H]1CN(C)CC4CCOCC4)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:109908) is a organofluorine compound (CHEBI:37143) Manual Xref Database LSM-21335 LINCS View more database links