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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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