(2R)-4-[(2-cyanophenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c1-10(2)9-17-13(15(20)21)7-14(19)18-12-6-4-3-5-11(12)8-16/h3-6,10,13,17H,7,9H2,1-2H3,(H,18,19)(H,20,21)/t13-/m1/s1