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

Systemtic Name: 3-[4-[3,3-bis(oxidanyl)propyl-methyl-amino]butyl-methyl-amino]-4-oxidanylidene-4-sulfanyloxy-butanoic acid Openeye Name: 3-[4-[3,3-dihydroxypropyl(methyl)amino]butyl-methyl-amino]-4-oxo-4-sulfanyloxy-butanoic acid CAS Name: 3-[4-[3,3-dihydroxypropyl(methyl)amino]butyl-methylamino]-4-mercaptooxy-4-oxobutanoic acid IUPAC Name: 3-[4-[3,3-dihydroxypropyl(methyl)amino]butyl-methylamino]-4-oxo-4-sulfanyloxybutanoic acid Traditional Name: 3-[4-[3,3-dihydroxypropyl(methyl)amino]butyl-methyl-amino]-4-keto-4-mercaptooxy-butyric acid Formula: C13H26N2O6S MolecularWeight: 338.42034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O6S/c1-14(8-5-11(16)17)6-3-4-7-15(2)10(9-12(18)19)13(20)21-22/h10-11,16-17,22H,3-9H2,1-2H3,(H,18,19)