(2S,3S)-3-oxidanyl-2-(3-phenylpropanoylamino)butanoate

Systemtic Name: (2S,3S)-3-oxidanyl-2-(3-phenylpropanoylamino)butanoate Openeye Name: (2S,3S)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate CAS Name: (2S,3S)-3-hydroxy-2-[(1-oxo-3-phenylpropyl)amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate Traditional Name: (2S,3S)-2-(hydrocinnamoylamino)-3-hydroxy-butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)CCC1=CC=CC=C1)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)CCC1=CC=CC=C1)O

InChI

InChI=1S/C13H17NO4/c1-9(15)12(13(17)18)14-11(16)8-7-10-5-3-2-4-6-10/h2-6,9,12,15H,7-8H2,1H3,(H,14,16)(H,17,18)/p-1/t9-,12-/m0/s1