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CHEBI:98642 - (3S)-2-[(S)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:98642
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC34H42N4O4S
Net Charge0
Average Mass602.801
Monoisotopic Mass602.29268
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1
InChIInChI=1S/C34H42N4O4S/c1-34(2,3)43(42)38-21-26-20-28(32(40)35-27-11-6-7-12-27)36-31(30(26)29(38)17-18-39)25-10-8-9-24(19-25)22-13-15-23(16-14-22)33(41)37(4)5/h8-10,13-16,19-20,27,29,39H,6-7,11-12,17-18,21H2,1-5H3,(H,35,40)/t29-,43-/m0/s1
InChIKeyBQTKZBMOPJVAHJ-SDSPLPIBSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98642) is a biphenyls (CHEBI:22888)
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