CHEBI:95578 - N-[[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide

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ChEBI Name N-[[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide ChEBI ID CHEBI:95578 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H41N3O5S Net Charge 0 Average Mass 519.699 Monoisotopic Mass 519.27669 InChI InChI=1S/C27H41N3O5S/c1-20-17-30(21(2)19-31)36(33,34)26-14-13-22(10-9-15-28(3)4)16-24(26)35-25(20)18-29(5)27(32)23-11-7-6-8-12-23/h13-14,16,20-21,23,25,31H,6-8,11-12,15,17-19H2,1-5H3/t20-,21+,25+/m1/s1 InChIKey UDLZIJJYMLYVSF-CZSZKKDXSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCN(C)C)O[C@H]1CN(C)C(=O)C3CCCCC3)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:95578) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-6957 LINCS View more database links