CHEBI:106366 - N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide

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ChEBI Name N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide ChEBI ID CHEBI:106366 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H32N2O5S Net Charge 0 Average Mass 484.610 Monoisotopic Mass 484.20319 InChI InChI=1S/C26H32N2O5S/c1-5-26(30)27(4)17-24-19(2)16-28(20(3)18-29)34(31,32)25-14-13-22(15-23(25)33-24)12-11-21-9-7-6-8-10-21/h6-10,13-15,19-20,24,29H,5,16-18H2,1-4H3/t19-,20+,24-/m1/s1 InChIKey RTCSRSPLRRSOHD-JXALWOEJSA-N SMILES CCC(=O)N(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C#CC3=CC=CC=C3)[C@@H](C)CO)C ChEBI Ontology Outgoing N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide (CHEBI:106366) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-17725 LINCS View more database links