(3S)-3-[(3-azanyl-3-oxidanylidene-propyl)azaniumyl]-3-(4-methylphenyl)propanoate

Systemtic Name: (3S)-3-[(3-azanyl-3-oxidanylidene-propyl)azaniumyl]-3-(4-methylphenyl)propanoate Openeye Name: (3S)-3-[(3-amino-3-oxo-propyl)ammonio]-3-(p-tolyl)propanoate CAS Name: (3S)-3-[(3-amino-3-oxopropyl)ammonio]-3-(4-methylphenyl)propanoate IUPAC Name: (3S)-3-[(3-amino-3-oxopropyl)azaniumyl]-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-[(3-amino-3-keto-propyl)ammonio]-3-(p-tolyl)propionate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-9-2-4-10(5-3-9)11(8-13(17)18)15-7-6-12(14)16/h2-5,11,15H,6-8H2,1H3,(H2,14,16)(H,17,18)/t11-/m0/s1