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

Systemtic Name: 3-[(1-ethanoyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-acetyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[(1-acetyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[(1-acetyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-acetyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C19H20FN3O6S2 MolecularWeight: 469.507003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O6S2/c1-12(24)22-8-9-23(31(28,29)17-3-2-10-30-17)19(22)18(27)21-15(11-16(25)26)13-4-6-14(20)7-5-13/h2-7,10,15,19H,8-9,11H2,1H3,(H,21,27)(H,25,26)