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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

ChEBI IDCHEBI:128210
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$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
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FormulaC19H28N2O5S
Net Charge0
Average Mass396.509
Monoisotopic Mass396.17189
SMILESCNC[C@@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C19H28N2O5S/c1-13-11-21(14(2)12-22)27(24,25)19-8-7-16(6-5-15(3)23)9-17(19)26-18(13)10-20-4/h7-9,13-15,18,20,22-23H,10-12H2,1-4H3/t13-,14-,15-,18+/m1/s1
InChIKeyBBRSVMSGZNDGOR-ADAWSYLGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-4-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol (CHEBI:128210) is a aromatic ether (CHEBI:35618)
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