3-[[1-(4-tert-butylphenyl)carbonyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(4-tert-butylphenyl)carbonyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(4-tert-butylbenzoyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(4-tert-butylphenyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(4-tert-butylbenzoyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(4-tert-butylbenzoyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C31H38FN3O5 MolecularWeight: 551.648923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C31H38FN3O5/c1-31(2,3)23-14-12-21(13-15-23)29(39)34-16-17-35(30(40)22-10-7-11-24(32)18-22)28(34)27(38)33-25(19-26(36)37)20-8-5-4-6-9-20/h7,10-15,18,20,25,28H,4-6,8-9,16-17,19H2,1-3H3,(H,33,38)(H,36,37)