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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

ChEBI IDCHEBI:114162
ChEBI Name(2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC19H28N2O5S
Net Charge0
Average Mass396.509
Monoisotopic Mass396.17189
SMILESCNC[C@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C19H28N2O5S/c1-14-12-21(15(2)13-22)27(23,24)19-8-7-16(6-5-9-25-4)10-17(19)26-18(14)11-20-3/h7-8,10,14-15,18,20,22H,9,11-13H2,1-4H3/t14-,15+,18+/m0/s1
InChIKeyLUVAADAAXLMVKF-HDMKZQKVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114162) is a aromatic ether (CHEBI:35618)
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