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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-cyclopropylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-thienylmethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[cyclopropyl(oxo)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-(2-thenyl)amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C29H37N5O2S MolecularWeight: 519.70138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)C#N)CC5=CC=CS5

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)C#N)CC5=CC=CS5

InChI

InChI=1S/C29H37N5O2S/c30-17-20-3-5-21(6-4-20)18-33(19-26-2-1-15-37-26)25-13-14-34(29(36)22-7-8-22)27(16-25)28(35)32-24-11-9-23(31)10-12-24/h1-6,15,22-25,27H,7-14,16,18-19,31H2,(H,32,35)/t23?,24?,25?,27-/m1/s1