N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[3,3-dimethylbutanoyl(phenethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[3,3-dimethylbutanoyl(phenethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(3,3-dimethyl-1-oxobutyl)-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C29H44N4O3 MolecularWeight: 496.68466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3CC3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3CC3)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C29H44N4O3/c1-29(2,3)18-26(34)32(16-15-20-7-5-4-6-8-20)24-17-25(33(19-24)28(36)21-9-10-21)27(35)31-23-13-11-22(30)12-14-23/h4-8,21-25H,9-19,30H2,1-3H3,(H,31,35)