calcium; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate; 4-methyl-2-oxidanylidene-pentanoate

Systemtic Name: calcium; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate; 4-methyl-2-oxidanylidene-pentanoate Openeye Name: calcium; (2S)-2-amino-5-guanidino-pentanoate; 4-methyl-2-oxo-pentanoate CAS Name: calcium; (2S)-2-amino-5-(diaminomethylideneamino)pentanoate; 4-methyl-2-oxopentanoate IUPAC Name: calcium; (2S)-2-amino-5-(diaminomethylideneamino)pentanoate; 4-methyl-2-oxopentanoate Traditional Name: calcium; (2S)-2-amino-5-guanidino-valerate; 2-keto-4-methyl-valerate Formula: C12H22CaN4O5 MolecularWeight: 342.40488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14N4O2.C6H10O3.Ca/c7-4(5(11)12)2-1-3-10-6(8)9;1-4(2)3-5(7)6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2/t4-;;/m0../s1