barium(2+); 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate

Systemtic Name: barium(2+); 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate Openeye Name: barium(2+); 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate CAS Name: barium(2+); 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoate IUPAC Name: barium(2+); 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate Traditional Name: barium(2+); 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionate Formula: C18H32BaN2O10 MolecularWeight: 573.78108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ba+2]

Isomeric SMILES

CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ba+2]

InChI

InChI=1S/2C9H17NO5.Ba/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2