sodium 4-methylsulfanyl-2-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]butanoate

Systemtic Name: sodium 4-methylsulfanyl-2-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]butanoate Openeye Name: sodium 4-methylsulfanyl-2-(2,3,4,5,6-pentahydroxyhexanoylamino)butanoate CAS Name: sodium 4-(methylthio)-2-[(2,3,4,5,6-pentahydroxy-1-oxohexyl)amino]butanoate IUPAC Name: sodium 4-methylsulfanyl-2-(2,3,4,5,6-pentahydroxyhexanoylamino)butanoate Traditional Name: sodium 4-(methylthio)-2-(2,3,4,5,6-pentahydroxyhexanoylamino)butyrate Formula: C11H20NNaO8S MolecularWeight: 349.33317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO8S.Na/c1-21-3-2-5(11(19)20)12-10(18)9(17)8(16)7(15)6(14)4-13;/h5-9,13-17H,2-4H2,1H3,(H,12,18)(H,19,20);/q;+1/p-1