3-(1H-imidazol-5-yl)-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(2-mesitylacetyl)amino]propionic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC(=O)NC(CC2=CN=CN2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)NC(CC2=CN=CN2)C(=O)O)C

InChI

InChI=1S/C17H21N3O3/c1-10-4-11(2)14(12(3)5-10)7-16(21)20-15(17(22)23)6-13-8-18-9-19-13/h4-5,8-9,15H,6-7H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)