(2S)-4-[(3,4-dichlorophenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2S)-4-[(3,4-dichlorophenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2S)-4-(3,4-dichloroanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2S)-4-(3,4-dichloroanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2S)-4-(3,4-dichloroanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2S)-4-(3,4-dichloroanilino)-4-keto-2-(phenethylammonio)butyrate Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N2O3/c19-14-7-6-13(10-15(14)20)22-17(23)11-16(18(24)25)21-9-8-12-4-2-1-3-5-12/h1-7,10,16,21H,8-9,11H2,(H,22,23)(H,24,25)/t16-/m0/s1