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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl(thiophen-2-ylcarbonyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[oxo(thiophen-2-yl)methyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl(2-thenoyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C31H38N4O3S2 MolecularWeight: 578.78842

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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)C(=O)C5=CC=CS5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5)CN

InChI

InChI=1S/C31H38N4O3S2/c32-19-23-9-4-10-24(17-23)20-33-29(36)26-18-25(21-35(26)31(38)28-12-6-16-40-28)34(30(37)27-11-5-15-39-27)14-13-22-7-2-1-3-8-22/h1-3,5-8,11-12,15-16,23-26H,4,9-10,13-14,17-21,32H2,(H,33,36)