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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCCO)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCO)Br

InChI

InChI=1S/C13H17BrN2O4/c14-9-2-4-10(5-3-9)16-12(18)8-11(13(19)20)15-6-1-7-17/h2-5,11,15,17H,1,6-8H2,(H,16,18)(H,19,20)/t11-/m1/s1