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CHEBI:100389 - (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:100389
ChEBI Name(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC28H37N3O4S
Net Charge0
Average Mass511.688
Monoisotopic Mass511.25048
SMILESCOCCNC(=O)c1cc2c(c(-c3cccc(C4=CCCC4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2
InChIInChI=1S/C28H37N3O4S/c1-28(2,3)36(34)31-18-22-17-23(27(33)29-13-15-35-4)30-26(25(22)24(31)12-14-32)21-11-7-10-20(16-21)19-8-5-6-9-19/h7-8,10-11,16-17,24,32H,5-6,9,12-15,18H2,1-4H3,(H,29,33)/t24-,36-/m1/s1
InChIKeyRKRNHXQJFJMDQI-GPJMPKJXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100389) is a phenylpyridine (CHEBI:38193)
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