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

Systemtic Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(3,3-dimethyl-1-oxobutyl)-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-m-toluoyl-imidazolidine-2-carbonyl]amino]propionic acid Formula: C27H39N3O5 MolecularWeight: 485.61566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)CC(C)(C)C

InChI

InChI=1S/C27H39N3O5/c1-18-9-8-12-20(15-18)26(35)30-14-13-29(22(31)17-27(2,3)4)25(30)24(34)28-21(16-23(32)33)19-10-6-5-7-11-19/h8-9,12,15,19,21,25H,5-7,10-11,13-14,16-17H2,1-4H3,(H,28,34)(H,32,33)