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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-methoxyethanoyl)-4-[phenethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-methoxy-1-oxoethyl)-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C27H36N4O4S MolecularWeight: 512.66414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

COCC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H36N4O4S/c1-35-18-25(32)31-17-22(16-23(31)26(33)29-21-11-9-20(28)10-12-21)30(27(34)24-8-5-15-36-24)14-13-19-6-3-2-4-7-19/h2-8,15,20-23H,9-14,16-18,28H2,1H3,(H,29,33)