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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropylcarbonyl-4-[(4-fluorophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[cyclopropyl(oxo)methyl]-4-[(4-fluorophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[(4-fluorobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C32H43FN4O2 MolecularWeight: 534.707823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3CC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3CC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F)CN

InChI

InChI=1S/C32H43FN4O2/c33-28-13-9-24(10-14-28)21-36(16-15-23-5-2-1-3-6-23)29-18-30(37(22-29)32(39)27-11-12-27)31(38)35-20-26-8-4-7-25(17-26)19-34/h1-3,5-6,9-10,13-14,25-27,29-30H,4,7-8,11-12,15-22,34H2,(H,35,38)