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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[tetrahydrofuran-2-ylmethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-oxolanylmethyl-[oxo(thiophen-2-yl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[oxolan-2-ylmethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[tetrahydrofurfuryl(2-thenoyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CC4CCCO4)C(=O)C5=CC=CS5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CC4CCCO4)C(=O)C5=CC=CS5)CN

InChI

InChI=1S/C28H38N4O4S2/c29-15-19-5-1-6-20(13-19)16-30-26(33)23-14-21(17-32(23)28(35)25-9-4-12-38-25)31(18-22-7-2-10-36-22)27(34)24-8-3-11-37-24/h3-4,8-9,11-12,19-23H,1-2,5-7,10,13-18,29H2,(H,30,33)