N-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropylcarbonyl-4-[cyclopropylcarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropylcarbonyl-4-[cyclopropylcarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[cyclopropyl(oxo)methyl]-4-[[cyclopropyl(oxo)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C29H42N4O3 MolecularWeight: 494.66878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3CC3)N(CCC4=CC=CC=C4)C(=O)C5CC5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3CC3)N(CCC4=CC=CC=C4)C(=O)C5CC5)CN

InChI

InChI=1S/C29H42N4O3/c30-17-21-7-4-8-22(15-21)18-31-27(34)26-16-25(19-33(26)29(36)24-11-12-24)32(28(35)23-9-10-23)14-13-20-5-2-1-3-6-20/h1-3,5-6,21-26H,4,7-19,30H2,(H,31,34)