3-[[1,3-bis[(3-fluorophenyl)carbonyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1,3-bis[(3-fluorophenyl)carbonyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1,3-bis(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1,3-bis[(3-fluorophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1,3-bis(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1,3-bis(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H29F2N3O5 MolecularWeight: 513.533066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC(=CC=C3)F)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC(=CC=C3)F)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H29F2N3O5/c28-20-10-4-8-18(14-20)26(36)31-12-13-32(27(37)19-9-5-11-21(29)15-19)25(31)24(35)30-22(16-23(33)34)17-6-2-1-3-7-17/h4-5,8-11,14-15,17,22,25H,1-3,6-7,12-13,16H2,(H,30,35)(H,33,34)