(2R)-4-oxidanylidene-4-phenylazanyl-2-[2-[(phenylmethyl)azaniumyl]ethylazaniumyl]butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-phenylazanyl-2-[2-[(phenylmethyl)azaniumyl]ethylazaniumyl]butanoate Openeye Name: (2R)-4-anilino-2-[2-(benzylammonio)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-anilino-4-oxo-2-[2-[(phenylmethyl)ammonio]ethylammonio]butanoate IUPAC Name: (2R)-4-anilino-2-[2-(benzylazaniumyl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-anilino-2-[2-(benzylammonio)ethylammonio]-4-keto-butyrate Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC[NH2+]C(CC(=O)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC[NH2+][C@H](CC(=O)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C19H23N3O3/c23-18(22-16-9-5-2-6-10-16)13-17(19(24)25)21-12-11-20-14-15-7-3-1-4-8-15/h1-10,17,20-21H,11-14H2,(H,22,23)(H,24,25)/p+1/t17-/m1/s1