CHEBI:97187 - 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide

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ChEBI Name 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
ChEBI ID CHEBI:97187
Stars This entity has been manually annotated by a third party.
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Formula C34H42N4O4S
Net Charge 0
Average Mass 602.789
Monoisotopic Mass 602.29268
InChI InChI=1S/C34H42N4O4S/c1-34(2,3)43(42)38-22-27-21-28(33(41)37-16-7-6-8-17-37)35-31(30(27)29(38)15-18-39)25-13-9-11-23(19-25)24-12-10-14-26(20-24)32(40)36(4)5/h9-14,19-21,29,39H,6-8,15-18,22H2,1-5H3/t29-,43-/m1/s1
InChIKey KPHKCBNGEDAQEL-WXTZLZKPSA-N
SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCCCC5
ChEBI Ontology
Outgoing 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:97187) is a biphenyls (CHEBI:22888)
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