calcium 3-[[(2R)-3,3-dimethyl-4-oxidanidyl-2-oxidanyl-butanoyl]amino]propanoate

Systemtic Name: calcium 3-[[(2R)-3,3-dimethyl-4-oxidanidyl-2-oxidanyl-butanoyl]amino]propanoate Openeye Name: calcium 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-oxido-butanoyl]amino]propanoate CAS Name: calcium 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-oxido-1-oxobutyl]amino]propanoate IUPAC Name: calcium 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-oxidobutanoyl]amino]propanoate Traditional Name: calcium 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-oxido-butanoyl]amino]propionate Formula: C9H15CaNO5 MolecularWeight: 257.2971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16NO5.Ca/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q-1;+2/p-1/t7-;/m0./s1