(2S)-2-[(2,4-dimethylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2,4-dimethylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2,4-dimethylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,4-dimethylphenyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2,4-dimethylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dimethylbenzoyl)amino]-3-methyl-butyrate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(C(C)C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-8(2)12(14(17)18)15-13(16)11-6-5-9(3)7-10(11)4/h5-8,12H,1-4H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1