(2R)-4-oxidanylidene-2-(pentylazaniumyl)-4-[(2,4,6-trimethylphenyl)amino]butanoate

Systemtic Name: (2R)-4-oxidanylidene-2-(pentylazaniumyl)-4-[(2,4,6-trimethylphenyl)amino]butanoate Openeye Name: (2R)-4-oxo-2-(pentylammonio)-4-(2,4,6-trimethylanilino)butanoate CAS Name: (2R)-4-oxo-2-(pentylammonio)-4-(2,4,6-trimethylanilino)butanoate IUPAC Name: (2R)-4-oxo-2-(pentylazaniumyl)-4-(2,4,6-trimethylanilino)butanoate Traditional Name: (2R)-2-(amylammonio)-4-keto-4-mesidino-butyrate Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]C(CC(=O)NC1=C(C=C(C=C1C)C)C)C(=O)[O-]

Isomeric SMILES

CCCCC[NH2+][C@H](CC(=O)NC1=C(C=C(C=C1C)C)C)C(=O)[O-]

InChI

InChI=1S/C18H28N2O3/c1-5-6-7-8-19-15(18(22)23)11-16(21)20-17-13(3)9-12(2)10-14(17)4/h9-10,15,19H,5-8,11H2,1-4H3,(H,20,21)(H,22,23)/t15-/m1/s1