CHEBI:127853 - (2R)-2-[(4S,5S)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2R)-2-[(4S,5S)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:127853 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H34N2O4S Net Charge 0 Average Mass 470.626 Monoisotopic Mass 470.22393 InChI InChI=1S/C26H34N2O4S/c1-5-15-27(4)18-25-20(2)17-28(21(3)19-29)33(30,31)26-14-13-23(16-24(26)32-25)12-11-22-9-7-6-8-10-22/h6-10,13-14,16,20-21,25,29H,5,15,17-19H2,1-4H3/t20-,21+,25+/m0/s1 InChIKey KSPMYNSTGYPJSZ-BPYKYCOYSA-N SMILES CCCN(C)C[C@@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C#CC3=CC=CC=C3)[C@H](C)CO)C ChEBI Ontology Outgoing (2R)-2-[(4S,5S)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:127853) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-39409 LINCS View more database links