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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropylcarbonyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[cyclopropyl(oxo)methyl]-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]-1-(2-thenoyl)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)C3=CC=CS3)N(CCC4=CC=CC=C4)C(=O)C5CC5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)C(=O)C5CC5)CN

InChI

InChI=1S/C30H40N4O3S/c31-18-22-8-4-9-23(16-22)19-32-28(35)26-17-25(20-34(26)30(37)27-10-5-15-38-27)33(29(36)24-11-12-24)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)