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CHEBI:96555 - (2R)-2-[(4S,5R)-8-[2-(3-methoxyphenyl)ethynyl]-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:96555
ChEBI Name(2R)-2-[(4S,5R)-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC27H36N2O5S
Net Charge0
Average Mass500.661
Monoisotopic Mass500.23449
SMILESCCCN(C)C[C@@H]1Oc2cc(C#Cc3cccc(OC)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C27H36N2O5S/c1-6-14-28(4)18-26-20(2)17-29(21(3)19-30)35(31,32)27-13-12-23(16-25(27)34-26)11-10-22-8-7-9-24(15-22)33-5/h7-9,12-13,15-16,20-21,26,30H,6,14,17-19H2,1-5H3/t20-,21+,26-/m0/s1
InChIKeyBMTZFXAWOLTARL-UZINWLIJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5R)-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:96555) is a methoxybenzenes (CHEBI:51683)
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