CHEBI:119699 - N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide

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ChEBI Name N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide ChEBI ID CHEBI:119699 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H33N3O5S Net Charge 0 Average Mass 523.646 Monoisotopic Mass 523.21409 InChI InChI=1S/C28H33N3O5S/c1-19-9-5-6-10-23(19)22-12-13-27-25(15-22)36-26(17-30(4)28(33)24-11-7-8-14-29-24)20(2)16-31(21(3)18-32)37(27,34)35/h5-15,20-21,26,32H,16-18H2,1-4H3/t20-,21-,26-/m1/s1 InChIKey UWPUNYQEQGJQBN-IPVFLDMMSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3C)O[C@@H]1CN(C)C(=O)C4=CC=CC=N4)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide (CHEBI:119699) is a pyridinecarboxamide (CHEBI:25529) Manual Xref Database LSM-31144 LINCS View more database links