N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-4-[(3-methoxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-4-[(3-methoxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[(3-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[(3-methoxyphenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[(3-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[m-anisyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C27H29FN4O4S MolecularWeight: 524.606963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C2CC(N(C2)C(=O)C3=CC=C(C=C3)F)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)CN(C2CC(N(C2)C(=O)C3=CC=C(C=C3)F)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H29FN4O4S/c1-36-22-5-2-4-18(14-22)16-31(27(35)24-6-3-13-37-24)21-15-23(25(33)30-12-11-29)32(17-21)26(34)19-7-9-20(28)10-8-19/h2-10,13-14,21,23H,11-12,15-17,29H2,1H3,(H,30,33)