2-(4-azanylbutyl)-2-(3-imidazol-1-ylpropyl)propanedioic acid

Systemtic Name: 2-(4-azanylbutyl)-2-(3-imidazol-1-ylpropyl)propanedioic acid Openeye Name: 2-(4-aminobutyl)-2-(3-imidazol-1-ylpropyl)propanedioic acid CAS Name: 2-(4-aminobutyl)-2-[3-(1-imidazolyl)propyl]propanedioic acid IUPAC Name: 2-(4-aminobutyl)-2-(3-imidazol-1-ylpropyl)propanedioic acid Traditional Name: 2-(4-aminobutyl)-2-(3-imidazol-1-ylpropyl)malonic acid Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCC(CCCCN)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCC(CCCCN)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H21N3O4/c14-6-2-1-4-13(11(17)18,12(19)20)5-3-8-16-9-7-15-10-16/h7,9-10H,1-6,8,14H2,(H,17,18)(H,19,20)