(2R)-2-azanyl-3-(1H-indol-3-yl)-N-oxidanyl-propanamide; cobalt(2+); diperchlorate; hydrate

Systemtic Name: (2R)-2-azanyl-3-(1H-indol-3-yl)-N-oxidanyl-propanamide; cobalt(2+); diperchlorate; hydrate Openeye Name: cobaltous (2R)-2-amino-3-(1H-indol-3-yl)propanehydroxamic acid diperchlorate hydrate CAS Name: (2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide; cobalt(2+); diperchlorate; hydrate IUPAC Name: (2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide; cobalt(2+); diperchlorate; hydrate Traditional Name: cobaltous (2R)-2-amino-3-(1H-indol-3-yl)propanehydroxamic acid diperchlorate hydrate Formula: C22H28Cl2CoN6O13 MolecularWeight: 714.32932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NO)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NO)N.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Co+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)NO)N.C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)NO)N.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Co+2]

InChI

InChI=1S/2C11H13N3O2.2ClHO4.Co.H2O/c2*12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10;2*2-1(3,4)5;;/h2*1-4,6,9,13,16H,5,12H2,(H,14,15);2*(H,2,3,4,5);;1H2/q;;;;+2;/p-2/t2*9-;;;;/m11..../s1