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

Systemtic Name: 3-[(1-cyclopentylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(cyclopentanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopentyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopentanecarbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(cyclopentanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C23H26FN3O6S2 MolecularWeight: 523.597443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H26FN3O6S2/c24-17-9-7-15(8-10-17)18(14-19(28)29)25-21(30)22-26(23(31)16-4-1-2-5-16)11-12-27(22)35(32,33)20-6-3-13-34-20/h3,6-10,13,16,18,22H,1-2,4-5,11-12,14H2,(H,25,30)(H,28,29)