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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[o-tolylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylbenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C34H44N4O2S MolecularWeight: 572.80376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCC5CCCC(C5)CN

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C34H44N4O2S/c1-25-9-5-6-14-29(25)23-37(17-16-26-10-3-2-4-11-26)30-20-31(38(24-30)34(40)32-15-8-18-41-32)33(39)36-22-28-13-7-12-27(19-28)21-35/h2-6,8-11,14-15,18,27-28,30-31H,7,12-13,16-17,19-24,35H2,1H3,(H,36,39)