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

Systemtic Name: calcium; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate; hydrogen carbonate Openeye Name: calcium; (2S)-2-amino-5-guanidino-pentanoate; hydrogen carbonate CAS Name: calcium; (2S)-2-amino-5-(diaminomethylideneamino)pentanoate; hydrogen carbonate IUPAC Name: calcium; (2S)-2-amino-5-(diaminomethylideneamino)pentanoate; hydrogen carbonate Traditional Name: calcium (2S)-2-amino-5-guanidino-valerate bicarbonate Formula: C7H14CaN4O5 MolecularWeight: 274.28786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14N4O2.CH2O3.Ca/c7-4(5(11)12)2-1-3-10-6(8)9;2-1(3)4;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);(H2,2,3,4);/q;;+2/p-2/t4-;;/m0../s1