(2S)-4-(4-methylphenyl)-2-[(3-oxidanidyl-3-oxidanylidene-propyl)azaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-methylphenyl)-2-[(3-oxidanidyl-3-oxidanylidene-propyl)azaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-[(3-oxido-3-oxo-propyl)ammonio]-4-oxo-4-(p-tolyl)butanoate CAS Name: (2S)-4-(4-methylphenyl)-2-[(3-oxido-3-oxopropyl)ammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-methylphenyl)-2-[(3-oxido-3-oxopropyl)azaniumyl]-4-oxobutanoate Traditional Name: (2S)-4-keto-2-[(3-keto-3-oxido-propyl)ammonio]-4-(p-tolyl)butyrate Formula: C14H16NO5- MolecularWeight: 278.28054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@H](C(=O)[O-])[NH2+]CCC(=O)[O-]

InChI

InChI=1S/C14H17NO5/c1-9-2-4-10(5-3-9)12(16)8-11(14(19)20)15-7-6-13(17)18/h2-5,11,15H,6-8H2,1H3,(H,17,18)(H,19,20)/p-1/t11-/m0/s1