4-[[3-[4,4-bis(oxidanyl)butyl-methyl-amino]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-5-sulfanyloxy-pentanoic acid

Systemtic Name: 4-[[3-[4,4-bis(oxidanyl)butyl-methyl-amino]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-5-sulfanyloxy-pentanoic acid Openeye Name: 4-[[1-[[4,4-dihydroxybutyl(methyl)amino]methyl]-2-hydroxy-2-oxo-ethyl]amino]-5-oxo-5-sulfanyloxy-pentanoic acid CAS Name: 4-[[3-[4,4-dihydroxybutyl(methyl)amino]-1-hydroxy-1-oxopropan-2-yl]amino]-5-mercaptooxy-5-oxopentanoic acid IUPAC Name: 4-[[3-[4,4-dihydroxybutyl(methyl)amino]-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxo-5-sulfanyloxypentanoic acid Traditional Name: 4-[[1-[[4,4-dihydroxybutyl(methyl)amino]methyl]-2-hydroxy-2-keto-ethyl]amino]-5-keto-5-mercaptooxy-valeric acid Formula: C13H24N2O8S MolecularWeight: 368.40326

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(O)O)CC(C(=O)O)NC(CCC(=O)O)C(=O)OS

Isomeric SMILES

CN(CCCC(O)O)CC(C(=O)O)NC(CCC(=O)O)C(=O)OS

InChI

InChI=1S/C13H24N2O8S/c1-15(6-2-3-10(16)17)7-9(12(20)21)14-8(13(22)23-24)4-5-11(18)19/h8-10,14,16-17,24H,2-7H2,1H3,(H,18,19)(H,20,21)