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

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[isobutyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[2-methylpropyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[isobutyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C23H29FN4O3S MolecularWeight: 460.564763

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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)NCCN)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CN(C1CC(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H29FN4O3S/c1-15(2)13-27(23(31)20-4-3-11-32-20)18-12-19(21(29)26-10-9-25)28(14-18)22(30)16-5-7-17(24)8-6-16/h3-8,11,15,18-19H,9-10,12-14,25H2,1-2H3,(H,26,29)