N-(4-azanylcyclohexyl)-4-[phenethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[phenethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[phenethyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[oxo(3-pyridinyl)methyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[phenethyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-nicotinoyl-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C30H35N5O3S MolecularWeight: 545.6956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C30H35N5O3S/c31-23-10-12-24(13-11-23)33-28(36)26-18-25(20-35(26)29(37)22-8-4-15-32-19-22)34(30(38)27-9-5-17-39-27)16-14-21-6-2-1-3-7-21/h1-9,15,17,19,23-26H,10-14,16,18,20,31H2,(H,33,36)