(2S)-4-bromanyl-3-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S)-4-bromanyl-3-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: (2S)-2-(benzylamino)-4-bromo-3-oxo-butanoic acid CAS Name: (2S)-4-bromo-3-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: (2S)-2-(benzylamino)-4-bromo-3-oxobutanoic acid Traditional Name: (2S)-2-(benzylamino)-4-bromo-3-keto-butyric acid Formula: C11H12BrNO3 MolecularWeight: 286.12188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C(=O)CBr)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN[C@@H](C(=O)CBr)C(=O)O

InChI

InChI=1S/C11H12BrNO3/c12-6-9(14)10(11(15)16)13-7-8-4-2-1-3-5-8/h1-5,10,13H,6-7H2,(H,15,16)/t10-/m0/s1