CHEBI:95692 - N-[[(4S,5R)-8-[2-(4-fluorophenyl)ethynyl]-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-methylacetamide

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ChEBI Name N-[[(4S,5R)-8-[2-(4-fluorophenyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide ChEBI ID CHEBI:95692 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H29FN2O5S Net Charge 0 Average Mass 488.574 Monoisotopic Mass 488.17812 InChI InChI=1S/C25H29FN2O5S/c1-17-14-28(18(2)16-29)34(31,32)25-12-9-21(6-5-20-7-10-22(26)11-8-20)13-23(25)33-24(17)15-27(4)19(3)30/h7-13,17-18,24,29H,14-16H2,1-4H3/t17-,18+,24-/m0/s1 InChIKey AHLJWBISIVXZIU-RHGYRFJNSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)F)O[C@H]1CN(C)C(=O)C)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5R)-8-[2-(4-fluorophenyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:95692) is a organofluorine compound (CHEBI:37143) Manual Xref Database LSM-7071 LINCS View more database links