EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:103025
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
Stars
DownloadsMolfile
FormulaC29H34N2O5S
Net Charge0
Average Mass522.667
Monoisotopic Mass522.21884
SMILESCCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N(S(=O)C(C)(C)C)C2
InChIInChI=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
InChIKeyDOYGEULPHZGEAI-JWPKJQAESA-N
ChEBI Ontology
Outgoing Relation(s)
(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 XrefsDatabases
LSM-14371LINCS