sodium 3-[[3,3-dimethyl-2,4-bis(oxidanyl)pentanoyl]amino]propanoate

Systemtic Name: sodium 3-[[3,3-dimethyl-2,4-bis(oxidanyl)pentanoyl]amino]propanoate Openeye Name: sodium 3-[(2,4-dihydroxy-3,3-dimethyl-pentanoyl)amino]propanoate CAS Name: sodium 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxopentyl)amino]propanoate IUPAC Name: sodium 3-[(2,4-dihydroxy-3,3-dimethylpentanoyl)amino]propanoate Traditional Name: sodium 3-[(2,4-dihydroxy-3,3-dimethyl-pentanoyl)amino]propionate Formula: C10H18NNaO5 MolecularWeight: 255.24339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO5.Na/c1-6(12)10(2,3)8(15)9(16)11-5-4-7(13)14;/h6,8,12,15H,4-5H2,1-3H3,(H,11,16)(H,13,14);/q;+1/p-1