2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylidenepentanedioic acid; dihydrate

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylidenepentanedioic acid; dihydrate Openeye Name: 2-amino-5-guanidino-pentanoic acid; 2-oxopentanedioic acid; dihydrate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-oxopentanedioic acid; dihydrate IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-oxopentanedioic acid; dihydrate Traditional Name: 2-amino-5-guanidino-valeric acid; 2-ketoglutaric acid; dihydrate Formula: C17H38N8O11 MolecularWeight: 530.53062

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(=O)O)C(=O)C(=O)O.O.O

Isomeric SMILES

C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(=O)O)C(=O)C(=O)O.O.O

InChI

InChI=1S/2C6H14N4O2.C5H6O5.2H2O/c2*7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8;;/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H2,(H,7,8)(H,9,10);2*1H2