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

Systemtic Name: calcium; 4-azanylbutanoate; 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate Openeye Name: calcium; 4-aminobutanoate; 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate CAS Name: calcium; 4-aminobutanoate; 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoate IUPAC Name: calcium; 4-aminobutanoate; 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate Traditional Name: calcium; 4-aminobutyrate; 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionate Formula: C13H24CaN2O7 MolecularWeight: 360.41686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO5.C4H9NO2.Ca/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;5-3-1-2-4(6)7;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1-3,5H2,(H,6,7);/q;;+2/p-2