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

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[phenethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H36N4O3S/c29-21-10-12-22(13-11-21)30-26(33)24-17-23(18-32(24)27(34)20-8-9-20)31(28(35)25-7-4-16-36-25)15-14-19-5-2-1-3-6-19/h1-7,16,20-24H,8-15,17-18,29H2,(H,30,33)