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

Systemtic Name: calcium 4-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]-3,3-dimethyl-2-oxidanyl-butanoate Openeye Name: calcium 4-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]-2-hydroxy-3,3-dimethyl-butanoate CAS Name: calcium 4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-2-hydroxy-3,3-dimethylbutanoate IUPAC Name: calcium 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxy-3,3-dimethylbutanoate Traditional Name: calcium 4-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]-2-hydroxy-3,3-dimethyl-butyrate Formula: C24H44CaN2O12 MolecularWeight: 592.69036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H23NO6.Ca/c2*1-11(2,8(16)10(18)19)5-13-9(17)7(15)12(3,4)6-14;/h2*7-8,14-16H,5-6H2,1-4H3,(H,13,17)(H,18,19);/q;;+2/p-2