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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-thienylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-(2-thenyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C30H35N5O2S2 MolecularWeight: 561.7612

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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)CC5=CC=CS5

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CC=CS3)N(CC4=CC=C(C=C4)C#N)CC5=CC=CS5

InChI

InChI=1S/C30H35N5O2S2/c31-18-21-5-7-22(8-6-21)19-34(20-26-3-1-15-38-26)25-13-14-35(30(37)28-4-2-16-39-28)27(17-25)29(36)33-24-11-9-23(32)10-12-24/h1-8,15-16,23-25,27H,9-14,17,19-20,32H2,(H,33,36)/t23?,24?,25?,27-/m1/s1