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

Systemtic Name: (2R,3R)-3-oxidanyl-2-[(3-oxidanylidene-3-phenyl-propyl)azaniumyl]butanoate Openeye Name: (2R,3R)-3-hydroxy-2-[(3-oxo-3-phenyl-propyl)ammonio]butanoate CAS Name: (2R,3R)-3-hydroxy-2-[(3-oxo-3-phenylpropyl)ammonio]butanoate IUPAC Name: (2R,3R)-3-hydroxy-2-[(3-oxo-3-phenylpropyl)azaniumyl]butanoate Traditional Name: (2R,3R)-3-hydroxy-2-[(3-keto-3-phenyl-propyl)ammonio]butyrate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-9(15)12(13(17)18)14-8-7-11(16)10-5-3-2-4-6-10/h2-6,9,12,14-15H,7-8H2,1H3,(H,17,18)/t9-,12-/m1/s1