calcium 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoate hydrate

Molecular Formula: C18H34CaN2O11


InChI: InChI=1/2C9H17NO5.Ca.H2O/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);;1H2/q;;+2;/p-2/t2*7-;;/m00../s1/f2C9H16NO5.Ca.H2O/h2*10H;;/q2*-1;m;

InChIKey: InChIKey=KUKRZUPDYACRAM-MBFAFPEKDD
SMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.O.[Ca+2]

Names:
    calcium 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoate hydrate

Registries:
    PubChem CID 6420025
    PubChem ID 11618492