(3S)-3-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]-3-phenyl-propanoate

Systemtic Name: (3S)-3-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]-3-phenyl-propanoate Openeye Name: (3S)-3-[bis(2-oxido-2-oxo-ethyl)ammonio]-3-phenyl-propanoate CAS Name: (3S)-3-[bis(2-oxido-2-oxoethyl)ammonio]-3-phenylpropanoate IUPAC Name: (3S)-3-[bis(2-oxido-2-oxoethyl)azaniumyl]-3-phenylpropanoate Traditional Name: (3S)-3-[bis(2-keto-2-oxido-ethyl)ammonio]-3-phenyl-propionate Formula: C13H13NO6-2 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c15-11(16)6-10(9-4-2-1-3-5-9)14(7-12(17)18)8-13(19)20/h1-5,10H,6-8H2,(H,15,16)(H,17,18)(H,19,20)/p-2/t10-/m0/s1