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

Systemtic Name: calcium 3-[[(2S)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate Openeye Name: calcium 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoate CAS Name: calcium 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoate IUPAC Name: calcium 3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate Traditional Name: calcium 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionate Formula: C18H32CaN2O10 MolecularWeight: 476.53208

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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.[Ca+2]

Isomeric SMILES

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

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/t2*7-;/m11./s1