N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(2-thienylmethyl)amino]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(thiophen-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(2-thenyl)amino]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide Formula: C27H36N4O2S MolecularWeight: 480.66534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C27H36N4O2S/c28-21-10-12-22(13-11-21)29-26(32)25-15-23(17-31(25)27(33)20-8-9-20)30(18-24-7-4-14-34-24)16-19-5-2-1-3-6-19/h1-7,14,20-23,25H,8-13,15-18,28H2,(H,29,32)