2,5-bis(azanyl)pentanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2,5-bis(azanyl)pentanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2,5-diaminopentanoic acid citrate CAS Name: 2,5-diaminopentanoic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2,5-diaminopentanoic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2,5-diaminovaleric acid citrate Formula: C11H17N2O9-3 MolecularWeight: 321.26068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C5H12N2O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;6-3-1-2-4(7)5(8)9/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H,1-3,6-7H2,(H,8,9)/p-3