N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-[isobutyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-[2-methylpropyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-[isobutyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C27H35FN4O3S MolecularWeight: 514.655203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CC(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)CN(C1CC(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H35FN4O3S/c1-17(2)15-31(27(35)24-4-3-13-36-24)22-14-23(25(33)30-21-11-9-20(29)10-12-21)32(16-22)26(34)18-5-7-19(28)8-6-18/h3-8,13,17,20-23H,9-12,14-16,29H2,1-2H3,(H,30,33)