(3S)-3-azaniumyl-2-[(3-bromophenyl)methyl]-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-azaniumyl-2-[(3-bromophenyl)methyl]-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: (3S)-3-azaniumyl-2-[(3-bromophenyl)methyl]-4-hydroxy-4-oxo-butanoate CAS Name: (3S)-3-ammonio-2-[(3-bromophenyl)methyl]-4-hydroxy-4-oxobutanoate IUPAC Name: (3S)-3-azaniumyl-2-[(3-bromophenyl)methyl]-4-hydroxy-4-oxobutanoate Traditional Name: (3S)-3-ammonio-2-(3-bromobenzyl)-4-hydroxy-4-keto-butyrate Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO4/c12-7-3-1-2-6(4-7)5-8(10(14)15)9(13)11(16)17/h1-4,8-9H,5,13H2,(H,14,15)(H,16,17)/t8?,9-/m0/s1