(2R)-4-[(2-bromophenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-bromoanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-bromoanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-bromoanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-bromoanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C14H19BrN2O4 MolecularWeight: 359.21566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O4/c1-21-8-4-7-16-12(14(19)20)9-13(18)17-11-6-3-2-5-10(11)15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,17,18)(H,19,20)/t12-/m1/s1