CHEBI:106298 - (2S)-2-[(4R,5S)-8-(2-cyclohexylethynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2S)-2-[(4R,5S)-8-(2-cyclohexylethynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:106298 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H34N2O4S Net Charge 0 Average Mass 434.594 Monoisotopic Mass 434.22393 InChI InChI=1S/C23H34N2O4S/c1-17-15-25(18(2)16-26)30(27,28)23-12-11-20(10-9-19-7-5-4-6-8-19)13-21(23)29-22(17)14-24-3/h11-13,17-19,22,24,26H,4-8,14-16H2,1-3H3/t17-,18+,22-/m1/s1 InChIKey PTEAFCJBUOPAHG-KGVIQGDOSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCCC3)O[C@@H]1CNC)[C@@H](C)CO ChEBI Ontology Outgoing (2S)-2-[(4R,5S)-8-(2-cyclohexylethynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:106298) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-17659 LINCS View more database links