(2S)-4-(naphthalen-1-ylamino)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2S)-4-(naphthalen-1-ylamino)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2S)-2-(benzylammonio)-4-(1-naphthylamino)-4-oxo-butanoate CAS Name: (2S)-4-(1-naphthalenylamino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2S)-2-(benzylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxobutanoate Traditional Name: (2S)-2-(benzylammonio)-4-keto-4-(1-naphthylamino)butyrate Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@@H](CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C21H20N2O3/c24-20(23-18-12-6-10-16-9-4-5-11-17(16)18)13-19(21(25)26)22-14-15-7-2-1-3-8-15/h1-12,19,22H,13-14H2,(H,23,24)(H,25,26)/t19-/m0/s1