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

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-bromoanilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-bromoanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-bromoanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-bromoanilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(CC(=O)NC1=CC=CC=C1Br)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH2+][C@H](CC(=O)NC1=CC=CC=C1Br)C(=O)[O-]

InChI

InChI=1S/C14H19BrN2O3/c1-9(2)8-16-12(14(19)20)7-13(18)17-11-6-4-3-5-10(11)15/h3-6,9,12,16H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1