CHEBI:114162 - (2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-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 (2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:114162 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H28N2O5S Net Charge 0 Average Mass 396.503 Monoisotopic Mass 396.17189 InChI InChI=1S/C19H28N2O5S/c1-14-12-21(15(2)13-22)27(23,24)19-8-7-16(6-5-9-25-4)10-17(19)26-18(14)11-20-3/h7-8,10,14-15,18,20,22H,9,11-13H2,1-4H3/t14-,15+,18+/m0/s1 InChIKey LUVAADAAXLMVKF-HDMKZQKVSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCOC)O[C@@H]1CNC)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114162) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-25593 LINCS View more database links