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

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-4-[phenethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C27H29FN4O3S MolecularWeight: 508.607563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN)C(=O)C2=CC=C(C=C2)F)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CC=C(C=C2)F)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H29FN4O3S/c28-21-10-8-20(9-11-21)26(34)32-18-22(17-23(32)25(33)30-14-13-29)31(27(35)24-7-4-16-36-24)15-12-19-5-2-1-3-6-19/h1-11,16,22-23H,12-15,17-18,29H2,(H,30,33)