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CHEBI:114113 - (2S)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:114113
ChEBI Name(2S)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC20H27N3O4S
Net Charge0
Average Mass405.520
Monoisotopic Mass405.17223
SMILESCNC[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C20H27N3O4S/c1-14-12-23(15(2)13-24)28(25,26)20-7-6-16(17-5-4-8-22-10-17)9-18(20)27-19(14)11-21-3/h4-10,14-15,19,21,24H,11-13H2,1-3H3/t14-,15-,19+/m0/s1
InChIKeyGQINMCYFQWJTAV-YZVOILCLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114113) is a aromatic ether (CHEBI:35618)
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