CHEBI:102494 - (3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

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ChEBI Name (3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ChEBI ID CHEBI:102494 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H30N2O5S Net Charge 0 Average Mass 494.605 Monoisotopic Mass 494.18754 InChI InChI=1S/C27H30N2O5S/c1-27(2,3)35(33)29-16-20-15-22(26(31)32)28-25(24(20)23(29)11-12-30)19-9-5-7-17(13-19)18-8-6-10-21(14-18)34-4/h5-10,13-15,23,30H,11-12,16H2,1-4H3,(H,31,32)/t23-,35?/m0/s1 InChIKey SQSYVIJPLUBFQG-MYJVBWMHSA-N SMILES CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)O ChEBI Ontology Outgoing (3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid (CHEBI:102494) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-13843 LINCS View more database links