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CHEBI:125729 - (3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

ChEBI IDCHEBI:125729
ChEBI Name(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
Stars
DownloadsMolfile
FormulaC26H27FN2O4S
Net Charge0
Average Mass482.577
Monoisotopic Mass482.16756
SMILESCC(C)(C)S(=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO
InChIInChI=1S/C26H27FN2O4S/c1-26(2,3)34(33)29-15-19-14-21(25(31)32)28-24(23(19)22(29)10-11-30)18-8-4-6-16(12-18)17-7-5-9-20(27)13-17/h4-9,12-14,22,30H,10-11,15H2,1-3H3,(H,31,32)/t22-,34?/m1/s1
InChIKeyXTQXNAKAMABTRA-PVFJFFHYSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid (CHEBI:125729) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-37298LINCS