(2S)-2-acetamido-3-(3,4-dimethylphenyl)propanoic acid

Systemtic Name: (2S)-2-acetamido-3-(3,4-dimethylphenyl)propanoic acid Openeye Name: (2S)-2-acetamido-3-(3,4-dimethylphenyl)propanoic acid CAS Name: (2S)-2-acetamido-3-(3,4-dimethylphenyl)propanoic acid IUPAC Name: (2S)-2-acetamido-3-(3,4-dimethylphenyl)propanoic acid Traditional Name: (2S)-2-acetamido-3-(3,4-dimethylphenyl)propionic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[C@@H](C(=O)O)NC(=O)C)C

InChI

InChI=1S/C13H17NO3/c1-8-4-5-11(6-9(8)2)7-12(13(16)17)14-10(3)15/h4-6,12H,7H2,1-3H3,(H,14,15)(H,16,17)/t12-/m0/s1