[(2S,3R)-3-carboxy-1,3-bis(oxidanyl)-1-oxidanylidene-5-phenyl-pentan-2-yl]azanium chloride

Systemtic Name: [(2S,3R)-3-carboxy-1,3-bis(oxidanyl)-1-oxidanylidene-5-phenyl-pentan-2-yl]azanium chloride Openeye Name: [(1S,2R)-1,2-dicarboxy-2-hydroxy-4-phenyl-butyl]ammonium chloride CAS Name: [(2S,3R)-3-carboxy-1,3-dihydroxy-1-oxo-5-phenylpentan-2-yl]ammonium chloride IUPAC Name: [(2S,3R)-3-carboxy-1,3-dihydroxy-1-oxo-5-phenylpentan-2-yl]azanium chloride Traditional Name: [(1S,2R)-1,2-dicarboxy-2-hydroxy-4-phenyl-butyl]ammonium chloride Formula: C12H16ClNO5 MolecularWeight: 289.71214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(C(=O)O)[NH3+])(C(=O)O)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5.ClH/c13-9(10(14)15)12(18,11(16)17)7-6-8-4-2-1-3-5-8;/h1-5,9,18H,6-7,13H2,(H,14,15)(H,16,17);1H/t9-,12-;/m1./s1