3-[2-[3,3-bis(oxidanyl)propyl-methyl-amino]ethylamino]-4-oxidanylidene-4-sulfanyloxy-butanoic acid

Systemtic Name: 3-[2-[3,3-bis(oxidanyl)propyl-methyl-amino]ethylamino]-4-oxidanylidene-4-sulfanyloxy-butanoic acid Openeye Name: 3-[2-[3,3-dihydroxypropyl(methyl)amino]ethylamino]-4-oxo-4-sulfanyloxy-butanoic acid CAS Name: 3-[2-[3,3-dihydroxypropyl(methyl)amino]ethylamino]-4-mercaptooxy-4-oxobutanoic acid IUPAC Name: 3-[2-[3,3-dihydroxypropyl(methyl)amino]ethylamino]-4-oxo-4-sulfanyloxybutanoic acid Traditional Name: 3-[2-[3,3-dihydroxypropyl(methyl)amino]ethylamino]-4-keto-4-mercaptooxy-butyric acid Formula: C10H20N2O6S MolecularWeight: 296.3406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2O6S/c1-12(4-2-8(13)14)5-3-11-7(6-9(15)16)10(17)18-19/h7-8,11,13-14,19H,2-6H2,1H3,(H,15,16)