2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate; iron(3+)

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate; iron(3+) Openeye Name: ferric 2-amino-5-guanidino-pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoate; iron(3+) IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoate; iron(3+) Traditional Name: ferric 2-amino-5-guanidino-valerate Formula: C18H39FeN12O6 MolecularWeight: 575.42406

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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(C(=O)[O-])N)CN=C(N)N.[Fe+3]

Isomeric SMILES

C(CC(C(=O)[O-])N)CN=C(N)N.C(CC(C(=O)[O-])N)CN=C(N)N.C(CC(C(=O)[O-])N)CN=C(N)N.[Fe+3]

InChI

InChI=1S/3C6H14N4O2.Fe/c3*7-4(5(11)12)2-1-3-10-6(8)9;/h3*4H,1-3,7H2,(H,11,12)(H4,8,9,10);/q;;;+3/p-3