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CHEBI:97147 - (3S)-4-[3-(2-benzofuranyl)phenyl]-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

ChEBI IDCHEBI:97147
ChEBI Name(3S)-4-[3-(2-benzofuranyl)phenyl]-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
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DownloadsMolfile
FormulaC28H28N2O5S
Net Charge0
Average Mass504.608
Monoisotopic Mass504.17189
SMILESCC(C)(C)S(=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO
InChIInChI=1S/C28H28N2O5S/c1-28(2,3)36(34)30-16-20-14-21(27(32)33)29-26(25(20)22(30)11-12-31)19-9-6-8-17(13-19)24-15-18-7-4-5-10-23(18)35-24/h4-10,13-15,22,31H,11-12,16H2,1-3H3,(H,32,33)/t22-,36?/m0/s1
InChIKeyWYZIXXCOOAVGGW-SABIYNJPSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-4-[3-(2-benzofuranyl)phenyl]-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid (CHEBI:97147) is a benzofurans (CHEBI:35259)
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