Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)(¹⁵N)amino](¹³C₃)propanoate}

More details:

• Systematic name

  Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)(~15~N)amino](~13~C_3_)propanoate}

• SMILES

  CC(C)(CO)C(C(=O)[15NH][13CH2][ CC(C)(CO)C(C(=O)[15NH][13CH2][13CH2][13C](=O)[O-])O.CC(C)(CO)C(C(=O)[15NH][13CH2][13CH2][13C](=O)[O-])O.[Ca+2]

• Std. InChi

  InChI=1S/2C9H17NO5.Ca/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/i2*3+1,4+1,6+1,10+1;

• Std. InChIKey

  FAPWYRCQGJNNSJ-NKMPTBBBSA-L

• Cite this record

  CSID:26540922, http://www.chemspider.com/Chemical-Structure.26540922.html (accessed 16:15, Apr 30, 2024)