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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[oxo(thiophen-2-yl)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C33H42N4O2S MolecularWeight: 558.77718

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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=CC=C5)CN

Isomeric SMILES

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

InChI

InChI=1S/C33H42N4O2S/c34-21-27-13-7-14-28(19-27)22-35-32(38)30-20-29(24-37(30)33(39)31-15-8-18-40-31)36(23-26-11-5-2-6-12-26)17-16-25-9-3-1-4-10-25/h1-6,8-12,15,18,27-30H,7,13-14,16-17,19-24,34H2,(H,35,38)