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CHEBI:125878 - (2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:125878
ChEBI Name(2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC27H42N2O4S
Net Charge0
Average Mass490.710
Monoisotopic Mass490.28653
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)CC1CCCC1
InChIInChI=1S/C27H42N2O4S/c1-20-16-29(21(2)19-30)34(31,32)27-14-13-24(23-11-5-4-6-12-23)15-25(27)33-26(20)18-28(3)17-22-9-7-8-10-22/h11,13-15,20-22,26,30H,4-10,12,16-19H2,1-3H3/t20-,21+,26+/m1/s1
InChIKeyHXWMLPVQOJFMRY-SWYRRKHMSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:125878) is a aromatic ether (CHEBI:35618)
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