2-azanylbutanedioic acid; 2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenoxy]propanedioic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenoxy]propanedioic acid Openeye Name: 2-aminobutanedioic acid; 2-[4-(2-amino-3-hydroxy-3-oxo-propyl)phenoxy]propanedioic acid CAS Name: 2-aminobutanedioic acid; 2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenoxy]propanedioic acid IUPAC Name: 2-aminobutanedioic acid; 2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenoxy]propanedioic acid Traditional Name: 2-[4-(2-amino-3-hydroxy-3-keto-propyl)phenoxy]malonic acid; 2-aminosuccinic acid Formula: C16H20N2O11 MolecularWeight: 416.3368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OC(C(=O)O)C(=O)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)OC(C(=O)O)C(=O)O.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H13NO7.C4H7NO4/c13-8(10(14)15)5-6-1-3-7(4-2-6)20-9(11(16)17)12(18)19;5-2(4(8)9)1-3(6)7/h1-4,8-9H,5,13H2,(H,14,15)(H,16,17)(H,18,19);2H,1,5H2,(H,6,7)(H,8,9)