CHEBI:128210 - (2R)-4-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (2R)-4-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol ChEBI ID CHEBI:128210 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H28N2O5S Net Charge 0 Average Mass 396.503 Monoisotopic Mass 396.17189 InChI InChI=1S/C19H28N2O5S/c1-13-11-21(14(2)12-22)27(24,25)19-8-7-16(6-5-15(3)23)9-17(19)26-18(13)10-20-4/h7-9,13-15,18,20,22-23H,10-12H2,1-4H3/t13-,14-,15-,18+/m1/s1 InChIKey BBRSVMSGZNDGOR-ADAWSYLGSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#C[C@@H](C)O)O[C@H]1CNC)[C@H](C)CO ChEBI Ontology Outgoing (2R)-4-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol (CHEBI:128210) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-39765 LINCS View more database links