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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[oxolan-2-ylmethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-oxolanylmethyl-(phenylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C30H42N4O3S MolecularWeight: 538.74448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CC4CCCO4)CC5=CC=CC=C5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CC4CCCO4)CC5=CC=CC=C5)CN

InChI

InChI=1S/C30H42N4O3S/c31-17-23-9-4-10-24(15-23)18-32-29(35)27-16-25(20-34(27)30(36)28-12-6-14-38-28)33(21-26-11-5-13-37-26)19-22-7-2-1-3-8-22/h1-3,6-8,12,14,23-27H,4-5,9-11,13,15-21,31H2,(H,32,35)