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CHEBI:129420 - (2S)-2-[(4R,5S)-8-[2-(2-fluorophenyl)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

Default Structure
ChEBI IDCHEBI:129420
ChEBI Name(2S)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC26H33FN2O4S
Net Charge0
Average Mass488.625
Monoisotopic Mass488.21451
SMILESCCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C26H33FN2O4S/c1-5-14-28(4)17-25-19(2)16-29(20(3)18-30)34(31,32)26-13-11-21(15-24(26)33-25)10-12-22-8-6-7-9-23(22)27/h6-9,11,13,15,19-20,25,30H,5,14,16-18H2,1-4H3/t19-,20+,25-/m1/s1
InChIKeyBFODBWPLXWNRJX-OHUGHZGNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:129420) is a organofluorine compound (CHEBI:37143)
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