2,6-bis(azanyl)hexanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2,6-diaminohexanoic acid citrate CAS Name: 2,6-diaminohexanoic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2,6-diaminohexanoic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2,6-diaminohexanoic acid citrate Formula: C12H19N2O9-3 MolecularWeight: 335.28726

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C(CCN)CC(C(=O)O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C6H14N2O2.C6H8O7/c7-4-2-1-3-5(8)6(9)10;7-3(8)1-6(13,5(11)12)2-4(9)10/h5H,1-4,7-8H2,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3