3-[[1-cyclohexylcarbonyl-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[[1-cyclohexylcarbonyl-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(cyclohexanecarbonyl)-3-m-toluoyl-imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C28H32FN3O5 MolecularWeight: 509.569183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)C(=O)C4CCCCC4

InChI

InChI=1S/C28H32FN3O5/c1-18-6-5-9-21(16-18)28(37)32-15-14-31(27(36)20-7-3-2-4-8-20)26(32)25(35)30-23(17-24(33)34)19-10-12-22(29)13-11-19/h5-6,9-13,16,20,23,26H,2-4,7-8,14-15,17H2,1H3,(H,30,35)(H,33,34)