(2R)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(4-anilinoanilino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C22H22N4O3/c27-21(13-20(22(28)29)24-15-16-5-4-12-23-14-16)26-19-10-8-18(9-11-19)25-17-6-2-1-3-7-17/h1-12,14,20,24-25H,13,15H2,(H,26,27)(H,28,29)/t20-/m1/s1