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CHEBI:103673 - (2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:103673
ChEBI Name(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC24H38N2O4S
Net Charge0
Average Mass450.645
Monoisotopic Mass450.25523
SMILESCCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23+/m0/s1
InChIKeyGQEOHDGNFBZEER-YCRNBWNJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:103673) is a aromatic ether (CHEBI:35618)
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