2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; pyridine-3-carboxylate

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; pyridine-3-carboxylate Openeye Name: 2-amino-5-guanidino-pentanoic acid; pyridine-3-carboxylate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-pyridinecarboxylate IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; pyridine-3-carboxylate Traditional Name: 2-amino-5-guanidino-valeric acid; nicotinate Formula: C12H18N5O4- MolecularWeight: 296.30242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC(=CN=C1)C(=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C6H14N4O2.C6H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;8-6(9)5-2-1-3-7-4-5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-4H,(H,8,9)/p-1