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CHEBI:125719 - (2S)-2-[(4S,5R)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:125719
ChEBI Name(2S)-2-[(4S,5R)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC25H33N3O4S
Net Charge0
Average Mass471.623
Monoisotopic Mass471.21918
SMILESCCCN(C)C[C@@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C25H33N3O4S/c1-5-14-27(4)17-24-19(2)16-28(20(3)18-29)33(30,31)25-9-8-22(15-23(25)32-24)7-6-21-10-12-26-13-11-21/h8-13,15,19-20,24,29H,5,14,16-18H2,1-4H3/t19-,20-,24-/m0/s1
InChIKeyOLEULROXDBOBLY-SKPFHBQLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4S,5R)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:125719) is a aromatic ether (CHEBI:35618)
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