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

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-4-(2-bromoanilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-bromoanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-bromoanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-bromoanilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C13H17BrN2O4 MolecularWeight: 345.18908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCO)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCO)Br

InChI

InChI=1S/C13H17BrN2O4/c14-9-4-1-2-5-10(9)16-12(18)8-11(13(19)20)15-6-3-7-17/h1-2,4-5,11,15,17H,3,6-8H2,(H,16,18)(H,19,20)/t11-/m1/s1