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

Systemtic Name: (2R)-4-[(2,6-diethylphenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: (2R)-4-(2,6-diethylanilino)-4-oxo-2-(propylammonio)butanoate CAS Name: (2R)-4-(2,6-diethylanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: (2R)-4-(2,6-diethylanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: (2R)-4-(2,6-diethylanilino)-4-keto-2-(propylammonio)butyrate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC(=O)NC1=C(C=CC=C1CC)CC)C(=O)[O-]

Isomeric SMILES

CCC[NH2+][C@H](CC(=O)NC1=C(C=CC=C1CC)CC)C(=O)[O-]

InChI

InChI=1S/C17H26N2O3/c1-4-10-18-14(17(21)22)11-15(20)19-16-12(5-2)8-7-9-13(16)6-3/h7-9,14,18H,4-6,10-11H2,1-3H3,(H,19,20)(H,21,22)/t14-/m1/s1