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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropylcarbonyl-4-[phenethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[cyclopropyl(oxo)methyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C30H40N4O3S MolecularWeight: 536.7286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3CC3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3CC3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5)CN

InChI

InChI=1S/C30H40N4O3S/c31-18-22-8-4-9-23(16-22)19-32-28(35)26-17-25(20-34(26)29(36)24-11-12-24)33(30(37)27-10-5-15-38-27)14-13-21-6-2-1-3-7-21/h1-3,5-7,10,15,22-26H,4,8-9,11-14,16-20,31H2,(H,32,35)