CHEBI:101445 - (3R)-2-[(R)-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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ChEBI Name (3R)-2-[(R)-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 ID CHEBI:101445 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 C34H42N4O4S Net Charge 0 Average Mass 602.789 Monoisotopic Mass 602.29268 InChI InChI=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-/m1/s1 InChIKey BQTKZBMOPJVAHJ-WXTZLZKPSA-N SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCCC5 ChEBI Ontology Outgoing (3R)-2-[(R)-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:101445) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-12808 LINCS View more database links