(2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C28H35N5O2S MolecularWeight: 505.6748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CC=CS3)N(CC4=CC=C(C=C4)C#N)C5CC5

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CC=CS3)N(CC4=CC=C(C=C4)C#N)C5CC5

InChI

InChI=1S/C28H35N5O2S/c29-17-19-3-5-20(6-4-19)18-33(23-11-12-23)24-13-14-32(28(35)26-2-1-15-36-26)25(16-24)27(34)31-22-9-7-21(30)8-10-22/h1-6,15,21-25H,7-14,16,18,30H2,(H,31,34)/t21?,22?,24?,25-/m1/s1