(2S)-4-(4-bromophenyl)-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate

Systemtic Name: (2S)-4-(4-bromophenyl)-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2S)-4-(4-bromophenyl)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-bromophenyl)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2S)-4-(4-bromophenyl)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(4-bromophenyl)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)[O-])[NH2+]CCCO)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[C@@H](C(=O)[O-])[NH2+]CCCO)Br

InChI

InChI=1S/C13H16BrNO4/c14-10-4-2-9(3-5-10)12(17)8-11(13(18)19)15-6-1-7-16/h2-5,11,15-16H,1,6-8H2,(H,18,19)/t11-/m0/s1