CHEBI:119479 - N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide

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ChEBI Name N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide ChEBI ID CHEBI:119479 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H35N3O6S Net Charge 0 Average Mass 541.661 Monoisotopic Mass 541.22466 InChI InChI=1S/C28H35N3O6S/c1-20-17-31(21(2)19-32)38(34,35)27-7-6-23(5-4-22-8-12-29-13-9-22)16-25(27)37-26(20)18-30(3)28(33)24-10-14-36-15-11-24/h6-9,12-13,16,20-21,24,26,32H,10-11,14-15,17-19H2,1-3H3/t20-,21+,26-/m0/s1 InChIKey RQONCHIHFCKYAZ-UZINWLIJSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=NC=C3)O[C@H]1CN(C)C(=O)C4CCOCC4)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:119479) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-30927 LINCS View more database links