CHEBI:103025 - (3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester ChEBI ID CHEBI:103025 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 C29H34N2O5S Net Charge 0 Average Mass 522.658 Monoisotopic Mass 522.21884 InChI InChI=1S/C29H34N2O5S/c1-6-36-28(33)24-17-22-18-31(37(34)29(2,3)4)25(13-14-32)26(22)27(30-24)21-11-7-9-19(15-21)20-10-8-12-23(16-20)35-5/h7-12,15-17,25,32H,6,13-14,18H2,1-5H3/t25-,37?/m1/s1 InChIKey DOYGEULPHZGEAI-JWPKJQAESA-N SMILES CCOC(=O)C1=NC(=C2[C@H](N(CC2=C1)S(=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC ChEBI Ontology Outgoing (3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester (CHEBI:103025) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-14371 LINCS View more database links