calcium (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: calcium (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: calcium (2S)-2-amino-5-guanidino-pentanoate CAS Name: calcium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate IUPAC Name: calcium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: calcium (2S)-2-amino-5-guanidino-valerate Formula: C12H26CaN8O4 MolecularWeight: 386.46404

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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.[Ca+2]

Isomeric SMILES

C(C[C@@H](C(=O)[O-])N)CN=C(N)N.C(C[C@@H](C(=O)[O-])N)CN=C(N)N.[Ca+2]

InChI

InChI=1S/2C6H14N4O2.Ca/c2*7-4(5(11)12)2-1-3-10-6(8)9;/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);/q;;+2/p-2/t2*4-;/m00./s1