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

Systemtic Name: 4-[2-[4,4-bis(oxidanyl)butyl-methyl-amino]ethyl-methyl-amino]-5-oxidanylidene-5-sulfanyloxy-pentanoic acid Openeye Name: 4-[2-[4,4-dihydroxybutyl(methyl)amino]ethyl-methyl-amino]-5-oxo-5-sulfanyloxy-pentanoic acid CAS Name: 4-[2-[4,4-dihydroxybutyl(methyl)amino]ethyl-methylamino]-5-mercaptooxy-5-oxopentanoic acid IUPAC Name: 4-[2-[4,4-dihydroxybutyl(methyl)amino]ethyl-methylamino]-5-oxo-5-sulfanyloxypentanoic acid Traditional Name: 4-[2-[4,4-dihydroxybutyl(methyl)amino]ethyl-methyl-amino]-5-keto-5-mercaptooxy-valeric acid Formula: C13H26N2O6S MolecularWeight: 338.42034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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