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

Systemtic Name: calcium 4-[(3,3-dimethyl-4-oxidanyl-2-oxidanylidene-butanoyl)amino]butanoate Openeye Name: calcium 4-[(4-hydroxy-3,3-dimethyl-2-oxo-butanoyl)amino]butanoate CAS Name: calcium 4-[(4-hydroxy-3,3-dimethyl-1,2-dioxobutyl)amino]butanoate IUPAC Name: calcium 4-[(4-hydroxy-3,3-dimethyl-2-oxobutanoyl)amino]butanoate Traditional Name: calcium 4-[(4-hydroxy-2-keto-3,3-dimethyl-butanoyl)amino]butyrate Formula: C20H32CaN2O10 MolecularWeight: 500.55348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H17NO5.Ca/c2*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;/h2*12H,3-6H2,1-2H3,(H,11,16)(H,13,14);/q;;+2/p-2