3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C29H38FN5O5 MolecularWeight: 555.640923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38FN5O5/c1-29(2,3)23-17-22(33(4)32-23)28(40)35-14-13-34(27(39)19-11-8-12-20(30)15-19)26(35)25(38)31-21(16-24(36)37)18-9-6-5-7-10-18/h8,11-12,15,17-18,21,26H,5-7,9-10,13-14,16H2,1-4H3,(H,31,38)(H,36,37)