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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-4-[phenethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C31H35FN4O3S MolecularWeight: 562.698003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35FN4O3S/c32-23-10-8-22(9-11-23)30(38)36-20-26(19-27(36)29(37)34-25-14-12-24(33)13-15-25)35(31(39)28-7-4-18-40-28)17-16-21-5-2-1-3-6-21/h1-11,18,24-27H,12-17,19-20,33H2,(H,34,37)