N-(4-azanylcyclohexyl)-4-[2-methylpropanoyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[2-methylpropanoyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[2-methylpropanoyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(2-methyl-1-oxopropyl)-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[2-methylpropanoyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[isobutyryl(phenethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC(C)C(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C28H38N4O3S/c1-19(2)27(34)31(15-14-20-7-4-3-5-8-20)23-17-24(26(33)30-22-12-10-21(29)11-13-22)32(18-23)28(35)25-9-6-16-36-25/h3-9,16,19,21-24H,10-15,17-18,29H2,1-2H3,(H,30,33)