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

Systemtic Name: 3-[[1-(4-tert-butylphenyl)carbonyl-3-(4-fluorophenyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(4-tert-butylbenzoyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(4-tert-butylphenyl)-oxomethyl]-3-(4-fluorophenyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(4-tert-butylbenzoyl)-3-(4-fluorophenyl)sulfonylimidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(4-tert-butylbenzoyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C30H38FN3O6S MolecularWeight: 587.702623

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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)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C30H38FN3O6S/c1-30(2,3)22-11-9-21(10-12-22)29(38)33-17-18-34(41(39,40)24-15-13-23(31)14-16-24)28(33)27(37)32-25(19-26(35)36)20-7-5-4-6-8-20/h9-16,20,25,28H,4-8,17-19H2,1-3H3,(H,32,37)(H,35,36)