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

Systemtic Name: 3-[3-[3,3-bis(oxidanyl)propyl-methyl-amino]propylamino]-4-oxidanylidene-4-sulfanyloxy-butanoic acid Openeye Name: 3-[3-[3,3-dihydroxypropyl(methyl)amino]propylamino]-4-oxo-4-sulfanyloxy-butanoic acid CAS Name: 3-[3-[3,3-dihydroxypropyl(methyl)amino]propylamino]-4-mercaptooxy-4-oxobutanoic acid IUPAC Name: 3-[3-[3,3-dihydroxypropyl(methyl)amino]propylamino]-4-oxo-4-sulfanyloxybutanoic acid Traditional Name: 3-[3-[3,3-dihydroxypropyl(methyl)amino]propylamino]-4-keto-4-mercaptooxy-butyric acid Formula: C11H22N2O6S MolecularWeight: 310.36718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O6S/c1-13(6-3-9(14)15)5-2-4-12-8(7-10(16)17)11(18)19-20/h8-9,12,14-15,20H,2-7H2,1H3,(H,16,17)