sodium 4-methyl-2-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]pentanoate

Systemtic Name: sodium 4-methyl-2-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]pentanoate Openeye Name: sodium 4-methyl-2-(2,3,4,5,6-pentahydroxyhexanoylamino)pentanoate CAS Name: sodium 4-methyl-2-[(2,3,4,5,6-pentahydroxy-1-oxohexyl)amino]pentanoate IUPAC Name: sodium 4-methyl-2-(2,3,4,5,6-pentahydroxyhexanoylamino)pentanoate Traditional Name: sodium 4-methyl-2-(2,3,4,5,6-pentahydroxyhexanoylamino)valerate Formula: C12H22NNaO8 MolecularWeight: 331.29475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO8.Na/c1-5(2)3-6(12(20)21)13-11(19)10(18)9(17)8(16)7(15)4-14;/h5-10,14-18H,3-4H2,1-2H3,(H,13,19)(H,20,21);/q;+1/p-1