(2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,5-dimethylanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-butyrate Formula: C14H19N2O3- MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-8(2)12(13(17)18)16-14(19)15-11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3,(H,17,18)(H2,15,16,19)/p-1/t12-/m0/s1