4-[2-[4,4-bis(oxidanyl)butyl-methyl-amino]ethylamino]-5-oxidanylidene-5-sulfanyloxy-pentanoic acid

Systemtic Name: 4-[2-[4,4-bis(oxidanyl)butyl-methyl-amino]ethylamino]-5-oxidanylidene-5-sulfanyloxy-pentanoic acid Openeye Name: 4-[2-[4,4-dihydroxybutyl(methyl)amino]ethylamino]-5-oxo-5-sulfanyloxy-pentanoic acid CAS Name: 4-[2-[4,4-dihydroxybutyl(methyl)amino]ethylamino]-5-mercaptooxy-5-oxopentanoic acid IUPAC Name: 4-[2-[4,4-dihydroxybutyl(methyl)amino]ethylamino]-5-oxo-5-sulfanyloxypentanoic acid Traditional Name: 4-[2-[4,4-dihydroxybutyl(methyl)amino]ethylamino]-5-keto-5-mercaptooxy-valeric acid Formula: C12H24N2O6S MolecularWeight: 324.39376

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(O)O)CCNC(CCC(=O)O)C(=O)OS

Isomeric SMILES

CN(CCCC(O)O)CCNC(CCC(=O)O)C(=O)OS

InChI

InChI=1S/C12H24N2O6S/c1-14(7-2-3-10(15)16)8-6-13-9(12(19)20-21)4-5-11(17)18/h9-10,13,15-16,21H,2-8H2,1H3,(H,17,18)