(2S)-2-[(3-cyanophenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(3-cyanophenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(3-cyanobenzoyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(3-cyanophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(3-cyanobenzoyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(3-cyanobenzoyl)amino]-3-methyl-butyric acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-8(2)11(13(17)18)15-12(16)10-5-3-4-9(6-10)7-14/h3-6,8,11H,1-2H3,(H,15,16)(H,17,18)/t11-/m0/s1