3,5-bis(azanyl)-3,4,4-tris(carboxymethyl)heptanedioic acid

Systemtic Name: 3,5-bis(azanyl)-3,4,4-tris(carboxymethyl)heptanedioic acid Openeye Name: 3,5-diamino-3,4,4-tris(carboxymethyl)heptanedioic acid CAS Name: 3,5-diamino-3,4,4-tris(carboxymethyl)heptanedioic acid IUPAC Name: 3,5-diamino-3,4,4-tris(carboxymethyl)heptanedioic acid Traditional Name: 3,5-diamino-3,4,4-tris(carboxymethyl)pimelic acid Formula: C13H20N2O10 MolecularWeight: 364.3053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O10/c14-6(1-7(16)17)12(2-8(18)19,3-9(20)21)13(15,4-10(22)23)5-11(24)25/h6H,1-5,14-15H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)