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

Systemtic Name: calcium 4-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]butanoate Openeye Name: calcium 4-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]butanoate CAS Name: calcium 4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]butanoate IUPAC Name: calcium 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoate Traditional Name: calcium 4-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]butyrate Formula: C20H36CaN2O10 MolecularWeight: 504.58524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H19NO5.Ca/c2*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;/h2*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);/q;;+2/p-2