(2R)-2-(3-azaniumylpropylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R)-4-anilino-2-(3-azaniumylpropylammonio)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-anilino-4-oxobutanoate IUPAC Name: (2R)-4-anilino-2-(3-azaniumylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-anilino-4-keto-butyrate Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c14-7-4-8-15-11(13(18)19)9-12(17)16-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9,14H2,(H,16,17)(H,18,19)/p+1/t11-/m1/s1