(2R,3R)-2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: (2R,3R)-2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2R,3R)-2-[[3-(4-bromophenyl)-3-oxo-propyl]ammonio]-3-hydroxy-butanoate CAS Name: (2R,3R)-2-[[3-(4-bromophenyl)-3-oxopropyl]ammonio]-3-hydroxybutanoate IUPAC Name: (2R,3R)-2-[[3-(4-bromophenyl)-3-oxopropyl]azaniumyl]-3-hydroxybutanoate Traditional Name: (2R,3R)-2-[[3-(4-bromophenyl)-3-keto-propyl]ammonio]-3-hydroxy-butyrate Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4/c1-8(16)12(13(18)19)15-7-6-11(17)9-2-4-10(14)5-3-9/h2-5,8,12,15-16H,6-7H2,1H3,(H,18,19)/t8-,12-/m1/s1