(2R)-2-azaniumyl-3-[3-[(2R)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]phenyl]propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[3-[(2R)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]phenyl]propanoate Openeye Name: (2R)-2-azaniumyl-3-[3-[(2R)-2-azaniumyl-3-oxido-3-oxo-propyl]phenyl]propanoate CAS Name: (2R)-2-ammonio-3-[3-[(2R)-2-ammonio-3-oxido-3-oxopropyl]phenyl]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[3-[(2R)-2-azaniumyl-3-oxido-3-oxopropyl]phenyl]propanoate Traditional Name: (2R)-2-ammonio-3-[3-[(2R)-2-ammonio-3-keto-3-oxido-propyl]phenyl]propionate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c13-9(11(15)16)5-7-2-1-3-8(4-7)6-10(14)12(17)18/h1-4,9-10H,5-6,13-14H2,(H,15,16)(H,17,18)/t9-,10-/m1/s1