(2S)-2-[(2,5-dimethylphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(2,5-dimethylbenzoyl)amino]propanoic acid CAS Name: (2S)-2-[[(2,5-dimethylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(2,5-dimethylbenzoyl)amino]propanoic acid Traditional Name: (2S)-2-[(2,5-dimethylbenzoyl)amino]propionic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C12H15NO3/c1-7-4-5-8(2)10(6-7)11(14)13-9(3)12(15)16/h4-6,9H,1-3H3,(H,13,14)(H,15,16)/t9-/m0/s1