3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid; sodium

Systemtic Name: 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid; sodium Openeye Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoic acid; sodium CAS Name: 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoic acid; sodium IUPAC Name: 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid; sodium Traditional Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionic acid; sodium Formula: C9H17NNaO5 MolecularWeight: 242.22475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCC(=O)O)O.[Na]

Isomeric SMILES

CC(C)(CO)C(C(=O)NCCC(=O)O)O.[Na]

InChI

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