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

Systemtic Name: 3-(4-fluorophenyl)-3-[[1-(2-phenylethanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[1-(2-phenylacetyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[oxo-[1-(1-oxo-2-phenylethyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[1-(2-phenylacetyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[1-(2-phenylacetyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H24FN3O6S2 MolecularWeight: 545.602963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)CC2=CC=CC=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)CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H24FN3O6S2/c26-19-10-8-18(9-11-19)20(16-22(31)32)27-24(33)25-28(21(30)15-17-5-2-1-3-6-17)12-13-29(25)37(34,35)23-7-4-14-36-23/h1-11,14,20,25H,12-13,15-16H2,(H,27,33)(H,31,32)