CHEBI:95871 - N-[[(4R,5S)-8-(1-cyclopentenyl)-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,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide ChEBI ID CHEBI:95871 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H33FN2O5S Net Charge 0 Average Mass 516.627 Monoisotopic Mass 516.20942 InChI InChI=1S/C27H33FN2O5S/c1-18-15-30(19(2)17-31)36(33,34)26-13-10-22(20-6-4-5-7-20)14-24(26)35-25(18)16-29(3)27(32)21-8-11-23(28)12-9-21/h6,8-14,18-19,25,31H,4-5,7,15-17H2,1-3H3/t18-,19+,25-/m1/s1 InChIKey KAJKYFHMOFZFFV-HHJKRLRDSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)C4=CC=C(C=C4)F)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:95871) is a carbonyl compound (CHEBI:36586) N-[[(4R,5S)-8-(1-cyclopentenyl)-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:95871) is a organohalogen compound (CHEBI:17792) Manual Xref Database LSM-7250 LINCS View more database links