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

Systemtic Name: 3-(4-fluorophenyl)-3-[(1-propylsulfonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[1-propylsulfonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[oxo-(1-propylsulfonyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[(1-propylsulfonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[1-propylsulfonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C20H24FN3O7S3 MolecularWeight: 533.613863

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24FN3O7S3/c1-2-12-33(28,29)23-9-10-24(34(30,31)18-4-3-11-32-18)20(23)19(27)22-16(13-17(25)26)14-5-7-15(21)8-6-14/h3-8,11,16,20H,2,9-10,12-13H2,1H3,(H,22,27)(H,25,26)