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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[(4-methoxyphenyl)carbonyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-phenethyl-amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[[(4-methoxyphenyl)-oxomethyl]-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[p-anisoyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C32H38N4O4S MolecularWeight: 574.73352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C32H38N4O4S/c1-40-27-15-9-23(10-16-27)31(38)35(18-17-22-6-3-2-4-7-22)26-20-28(30(37)34-25-13-11-24(33)12-14-25)36(21-26)32(39)29-8-5-19-41-29/h2-10,15-16,19,24-26,28H,11-14,17-18,20-21,33H2,1H3,(H,34,37)