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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C33H39N5O2S MolecularWeight: 569.76006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H39N5O2S/c34-22-25-8-10-26(11-9-25)23-37(18-16-24-5-2-1-3-6-24)29-17-19-38(33(40)31-7-4-20-41-31)30(21-29)32(39)36-28-14-12-27(35)13-15-28/h1-11,20,27-30H,12-19,21,23,35H2,(H,36,39)/t27?,28?,29?,30-/m1/s1