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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[phenethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-m-anisoyl-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C32H38N4O4S MolecularWeight: 574.73352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

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