N-(4-azanylcyclohexyl)-4-[3,3-dimethylbutanoyl(2-morpholin-4-ylethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[3,3-dimethylbutanoyl(2-morpholin-4-ylethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(2-morpholinoethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(3,3-dimethyl-1-oxobutyl)-[2-(4-morpholinyl)ethyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(2-morpholinoethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C28H45N5O4S MolecularWeight: 547.753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCN1CCOCC1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CCN1CCOCC1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C28H45N5O4S/c1-28(2,3)18-25(34)32(11-10-31-12-14-37-15-13-31)22-17-23(26(35)30-21-8-6-20(29)7-9-21)33(19-22)27(36)24-5-4-16-38-24/h4-5,16,20-23H,6-15,17-19,29H2,1-3H3,(H,30,35)