(2S)-2-acetamido-3-oxidanylidene-3-[(4-propan-2-ylphenyl)amino]propanoic acid

Systemtic Name: (2S)-2-acetamido-3-oxidanylidene-3-[(4-propan-2-ylphenyl)amino]propanoic acid Openeye Name: (2S)-2-acetamido-3-(4-isopropylanilino)-3-oxo-propanoic acid CAS Name: (2S)-2-acetamido-3-oxo-3-(4-propan-2-ylanilino)propanoic acid IUPAC Name: (2S)-2-acetamido-3-oxo-3-(4-propan-2-ylanilino)propanoic acid Traditional Name: (2S)-2-acetamido-3-cumidino-3-keto-propionic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-8(2)10-4-6-11(7-5-10)16-13(18)12(14(19)20)15-9(3)17/h4-8,12H,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t12-/m0/s1