2-[azanyl-[2-(1-azanyl-2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-[azanyl-[2-(1-azanyl-2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methyl]propanedioic acid Openeye Name: 2-[amino-[2-(1-amino-2-carboxy-3-hydroxy-3-oxo-propyl)phenyl]methyl]propanedioic acid CAS Name: 2-[amino-[2-(1-amino-2-carboxy-3-hydroxy-3-oxopropyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-[amino-[2-(1-amino-2-carboxy-3-hydroxy-3-oxopropyl)phenyl]methyl]propanedioic acid Traditional Name: 2-[amino-[2-(1-amino-2-carboxy-3-hydroxy-3-keto-propyl)phenyl]methyl]malonic acid Formula: C14H16N2O8 MolecularWeight: 340.28544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(C(=O)O)C(=O)O)N)C(C(C(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(C(C(=O)O)C(=O)O)N)C(C(C(=O)O)C(=O)O)N

InChI

InChI=1S/C14H16N2O8/c15-9(7(11(17)18)12(19)20)5-3-1-2-4-6(5)10(16)8(13(21)22)14(23)24/h1-4,7-10H,15-16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)