2-azanylbutanedioic acid; 2-azanyl-3-(4-fluorophenyl)propanoic acid; 2-azanylpentanedioic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-azanyl-3-(4-fluorophenyl)propanoic acid; 2-azanylpentanedioic acid Openeye Name: 2-aminobutanedioic acid; 2-amino-3-(4-fluorophenyl)propanoic acid; 2-aminopentanedioic acid CAS Name: 2-aminobutanedioic acid; 2-amino-3-(4-fluorophenyl)propanoic acid; 2-aminopentanedioic acid IUPAC Name: 2-aminobutanedioic acid; 2-amino-3-(4-fluorophenyl)propanoic acid; 2-aminopentanedioic acid Traditional Name: 2-amino-3-(4-fluorophenyl)propionic acid; 2-aminoglutaric acid; 2-aminosuccinic acid Formula: C18H26FN3O10 MolecularWeight: 463.411543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10FNO2.C5H9NO4.C4H7NO4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7/h1-4,8H,5,11H2,(H,12,13);3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)