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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorobenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C33H41FN4O2S MolecularWeight: 576.767643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F)CN

InChI

InChI=1S/C33H41FN4O2S/c34-28-13-11-25(12-14-28)22-37(16-15-24-6-2-1-3-7-24)29-19-30(38(23-29)33(40)31-10-5-17-41-31)32(39)36-21-27-9-4-8-26(18-27)20-35/h1-3,5-7,10-14,17,26-27,29-30H,4,8-9,15-16,18-23,35H2,(H,36,39)