calcium 6-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]hexanoate

Systemtic Name: calcium 6-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]hexanoate Openeye Name: calcium 6-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]hexanoate CAS Name: calcium 6-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]hexanoate IUPAC Name: calcium 6-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]hexanoate Traditional Name: calcium 6-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]hexanoate Formula: C24H44CaN2O10 MolecularWeight: 560.69156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCCCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCCCCC(=O)[O-])O.[Ca+2]

Isomeric SMILES

CC(C)(CO)C(C(=O)NCCCCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCCCCC(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C12H23NO5.Ca/c2*1-12(2,8-14)10(17)11(18)13-7-5-3-4-6-9(15)16;/h2*10,14,17H,3-8H2,1-2H3,(H,13,18)(H,15,16);/q;;+2/p-2