CHEBI:101806 - (3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:101806 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 C33H34N4O5S Net Charge 0 Average Mass 598.714 Monoisotopic Mass 598.22499 InChI InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-16-26(32(39)35-17-21-9-10-28-29(14-21)42-20-41-28)36-31(30(25)27(37)11-13-38)23-7-4-6-22(15-23)24-8-5-12-34-18-24/h4-10,12,14-16,18,27,38H,11,13,17,19-20H2,1-3H3,(H,35,39)/t27-,43-/m0/s1 InChIKey JSQFWOWYOCZIMF-AMDSOUHQSA-N SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6 ChEBI Ontology Outgoing (3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101806) is a phenylpyridine (CHEBI:38193) Manual Xref Database LSM-13168 LINCS View more database links