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

Systemtic Name: 3-(4-fluorophenyl)-3-[(1-morpholin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[1-(morpholine-4-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[[1-[4-morpholinyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[1-(morpholine-4-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[1-(morpholine-4-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C22H25FN4O7S2 MolecularWeight: 540.584903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)N2CCOCC2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)N2CCOCC2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25FN4O7S2/c23-16-5-3-15(4-6-16)17(14-18(28)29)24-20(30)21-26(22(31)25-9-11-34-12-10-25)7-8-27(21)36(32,33)19-2-1-13-35-19/h1-6,13,17,21H,7-12,14H2,(H,24,30)(H,28,29)