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CHEBI:110107 - (2S)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:110107
ChEBI Name(2S)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC26H40N2O5S
Net Charge0
Average Mass492.682
Monoisotopic Mass492.26579
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CCOCC1
InChIInChI=1S/C26H40N2O5S/c1-19-15-28(20(2)18-29)34(30,31)26-9-8-23(22-6-4-5-7-22)14-24(26)33-25(19)17-27(3)16-21-10-12-32-13-11-21/h6,8-9,14,19-21,25,29H,4-5,7,10-13,15-18H2,1-3H3/t19-,20+,25+/m1/s1
InChIKeyWLSSZJWPMNLWIC-RNHFSVANSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:110107) is a aromatic ether (CHEBI:35618)
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