(2R,4R)-2-azaniumyl-4-[(4-bromophenyl)methyl]pentanedioate

Systemtic Name: (2R,4R)-2-azaniumyl-4-[(4-bromophenyl)methyl]pentanedioate Openeye Name: (2R,4R)-2-azaniumyl-4-[(4-bromophenyl)methyl]pentanedioate CAS Name: (2R,4R)-2-ammonio-4-[(4-bromophenyl)methyl]pentanedioate IUPAC Name: (2R,4R)-2-azaniumyl-4-[(4-bromophenyl)methyl]pentanedioate Traditional Name: (2R,4R)-2-ammonio-4-(4-bromobenzyl)glutarate Formula: C12H13BrNO4- MolecularWeight: 315.13992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(C(=O)[O-])[NH3+])C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C[C@H](C[C@H](C(=O)[O-])[NH3+])C(=O)[O-])Br

InChI

InChI=1S/C12H14BrNO4/c13-9-3-1-7(2-4-9)5-8(11(15)16)6-10(14)12(17)18/h1-4,8,10H,5-6,14H2,(H,15,16)(H,17,18)/p-1/t8-,10-/m1/s1