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

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[o-tolylmethyl(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(2-methylbenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C28H38N4O2S MolecularWeight: 494.69192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4CC4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=CC=C1CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4CC4)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C28H38N4O2S/c1-19-5-2-3-6-21(19)16-31(18-25-7-4-14-35-25)24-15-26(32(17-24)28(34)20-8-9-20)27(33)30-23-12-10-22(29)11-13-23/h2-7,14,20,22-24,26H,8-13,15-18,29H2,1H3,(H,30,33)