3-(4-fluorophenyl)-3-[(1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[(1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[1-(pyridine-4-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[oxo-[1-[oxo(pyridin-4-yl)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[1-(pyridine-4-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[1-isonicotinoyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C23H21FN4O6S2 MolecularWeight: 532.564443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=NC=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=NC=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H21FN4O6S2/c24-17-5-3-15(4-6-17)18(14-19(29)30)26-21(31)22-27(23(32)16-7-9-25-10-8-16)11-12-28(22)36(33,34)20-2-1-13-35-20/h1-10,13,18,22H,11-12,14H2,(H,26,31)(H,29,30)