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

Systemtic Name: 3-[(1-cyclopropylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(cyclopropanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopropyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopropanecarbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(cyclopropanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C21H22FN3O6S2 MolecularWeight: 495.544283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC1C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H22FN3O6S2/c22-15-7-5-13(6-8-15)16(12-17(26)27)23-19(28)20-24(21(29)14-3-4-14)9-10-25(20)33(30,31)18-2-1-11-32-18/h1-2,5-8,11,14,16,20H,3-4,9-10,12H2,(H,23,28)(H,26,27)