(2R)-4-[(2,6-diethylphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-[(2,6-diethylphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(2,6-diethylanilino)-4-oxo-butanoate CAS Name: (2R)-4-(2,6-diethylanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(2,6-diethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(2,6-diethylanilino)-4-keto-butyrate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-3-16-11-8-12-17(4-2)20(16)23-19(24)13-18(21(25)26)22-14-15-9-6-5-7-10-15/h5-12,18,22H,3-4,13-14H2,1-2H3,(H,23,24)(H,25,26)/t18-/m1/s1