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

Systemtic Name: 3-(4-fluorophenyl)-3-[[1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[1-(3-phenylpropanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[oxo-[1-(1-oxo-3-phenylpropyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[1-hydrocinnamoyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C26H26FN3O6S2 MolecularWeight: 559.629543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)CCC2=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)CCC2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C26H26FN3O6S2/c27-20-11-9-19(10-12-20)21(17-23(32)33)28-25(34)26-29(22(31)13-8-18-5-2-1-3-6-18)14-15-30(26)38(35,36)24-7-4-16-37-24/h1-7,9-12,16,21,26H,8,13-15,17H2,(H,28,34)(H,32,33)