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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[phenethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H38N4O3S/c1-20(33)32-19-24(16-25(32)27(34)30-18-23-10-5-9-22(15-23)17-29)31(28(35)26-11-6-14-36-26)13-12-21-7-3-2-4-8-21/h2-4,6-8,11,14,22-25H,5,9-10,12-13,15-19,29H2,1H3,(H,30,34)