4-methylsulfanyl-2-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-(2,3,4,5,6-pentahydroxyhexylamino)butanoic acid CAS Name: 4-(methylthio)-2-(2,3,4,5,6-pentahydroxyhexylamino)butanoic acid IUPAC Name: 4-methylsulfanyl-2-(2,3,4,5,6-pentahydroxyhexylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(2,3,4,5,6-pentahydroxyhexylamino)butyric acid Formula: C11H23NO7S MolecularWeight: 313.36782

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC(C(C(C(CO)O)O)O)O

Isomeric SMILES

CSCCC(C(=O)O)NCC(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C11H23NO7S/c1-20-3-2-6(11(18)19)12-4-7(14)9(16)10(17)8(15)5-13/h6-10,12-17H,2-5H2,1H3,(H,18,19)