CHEBI:126150 - N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

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ChEBI Name N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide ChEBI ID CHEBI:126150 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H35FN2O5S Net Charge 0 Average Mass 530.653 Monoisotopic Mass 530.22507 InChI InChI=1S/C28H35FN2O5S/c1-19-16-31(20(2)18-32)37(34,35)27-14-11-23(21-7-5-4-6-8-21)15-25(27)36-26(19)17-30(3)28(33)22-9-12-24(29)13-10-22/h7,9-15,19-20,26,32H,4-6,8,16-18H2,1-3H3/t19-,20+,26+/m1/s1 InChIKey GJXITPCKIIOKJV-GOHWNWGWSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)C4=CC=C(C=C4)F)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:126150) is a carbonyl compound (CHEBI:36586) N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:126150) is a organohalogen compound (CHEBI:17792) Manual Xref Database LSM-37717 LINCS View more database links