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CHEBI:110012 - (2S)-2-[(4S,5R)-4-methyl-8-(2-methylphenyl)-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:110012
ChEBI Name(2S)-2-[(4S,5R)-4-methyl-8-(2-methylphenyl)-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC25H36N2O4S
Net Charge0
Average Mass460.640
Monoisotopic Mass460.23958
SMILESCCCN(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C25H36N2O4S/c1-6-13-26(5)16-24-19(3)15-27(20(4)17-28)32(29,30)25-12-11-21(14-23(25)31-24)22-10-8-7-9-18(22)2/h7-12,14,19-20,24,28H,6,13,15-17H2,1-5H3/t19-,20-,24-/m0/s1
InChIKeyOGNBHIXSMVQURJ-SKPFHBQLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4S,5R)-4-methyl-8-(2-methylphenyl)-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:110012) is a toluenes (CHEBI:27024)
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