(2S)-3-(4-aminocarbonyl-2,6-dimethyl-phenyl)-2-methyl-propanoate

Systemtic Name: (2S)-3-(4-aminocarbonyl-2,6-dimethyl-phenyl)-2-methyl-propanoate Openeye Name: (2S)-3-(4-carbamoyl-2,6-dimethyl-phenyl)-2-methyl-propanoate CAS Name: (2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-methylpropanoate IUPAC Name: (2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-methylpropanoate Traditional Name: (2S)-3-(4-carbamoyl-2,6-dimethyl-phenyl)-2-methyl-propionate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C)C(=O)[O-])C)C(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C[C@H](C)C(=O)[O-])C)C(=O)N

InChI

InChI=1S/C13H17NO3/c1-7-4-10(12(14)15)5-8(2)11(7)6-9(3)13(16)17/h4-5,9H,6H2,1-3H3,(H2,14,15)(H,16,17)/p-1/t9-/m0/s1