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CHEBI:128260 - (2R)-2-[(4R,5S)-8-(1-cyclohexenyl)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:128260
ChEBI Name(2R)-2-[(4R,5S)-8-(1-cyclohexenyl)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC25H38N2O4S
Net Charge0
Average Mass462.656
Monoisotopic Mass462.25523
SMILESC[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)CC1CC1
InChIInChI=1S/C25H38N2O4S/c1-18-14-27(19(2)17-28)32(29,30)25-12-11-22(21-7-5-4-6-8-21)13-23(25)31-24(18)16-26(3)15-20-9-10-20/h7,11-13,18-20,24,28H,4-6,8-10,14-17H2,1-3H3/t18-,19-,24-/m1/s1
InChIKeyJGNQIWALOVNPJK-KHCICDEESA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4R,5S)-8-(1-cyclohexenyl)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:128260) is a aromatic ether (CHEBI:35618)
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