(2R)-2-(2-azaniumylethylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R)-4-anilino-2-(2-azaniumylethylammonio)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-anilino-4-oxobutanoate IUPAC Name: (2R)-4-anilino-2-(2-azaniumylethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-anilino-4-keto-butyrate Formula: C12H18N3O3+ MolecularWeight: 252.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH3+]

InChI

InChI=1S/C12H17N3O3/c13-6-7-14-10(12(17)18)8-11(16)15-9-4-2-1-3-5-9/h1-5,10,14H,6-8,13H2,(H,15,16)(H,17,18)/p+1/t10-/m1/s1