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CHEBI:100829 - (3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:100829
ChEBI Name(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC30H37N3O5S
Net Charge0
Average Mass551.709
Monoisotopic Mass551.24539
SMILESCOCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N(S(=O)C(C)(C)C)C2
InChIInChI=1S/C30H37N3O5S/c1-30(2,3)39(36)33-19-23-18-25(29(35)31-13-15-37-4)32-28(27(23)26(33)12-14-34)22-10-6-8-20(16-22)21-9-7-11-24(17-21)38-5/h6-11,16-18,26,34H,12-15,19H2,1-5H3,(H,31,35)/t26-,39?/m1/s1
InChIKeyNSGNWJNYRBQKFH-ZFPLWWAGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100829) is a biphenyls (CHEBI:22888)
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