(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoate; nickel(2+)

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoate; nickel(2+) Openeye Name: nickelous (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate; nickel(2+) IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate; nickel(2+) Traditional Name: nickelous (2S)-2-amino-3-(1H-imidazol-5-yl)propionate Formula: C36H48N18NiO12-4 MolecularWeight: 983.57312

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Ni+2]

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.[Ni+2]

InChI

InChI=1S/6C6H9N3O2.Ni/c6*7-5(6(10)11)1-4-2-8-3-9-4;/h6*2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;;;;;;+2/p-6/t6*5-;/m000000./s1