2-[[1-(dodecanoylamino)-3-oxidanyl-propyl]-dimethyl-azaniumyl]-2-(2-hydroxyethyl)-5-sulfo-pentanoate

Systemtic Name: 2-[[1-(dodecanoylamino)-3-oxidanyl-propyl]-dimethyl-azaniumyl]-2-(2-hydroxyethyl)-5-sulfo-pentanoate Openeye Name: 2-[[1-(dodecanoylamino)-3-hydroxy-propyl]-dimethyl-ammonio]-2-(2-hydroxyethyl)-5-sulfo-pentanoate CAS Name: 2-(2-hydroxyethyl)-2-[[3-hydroxy-1-(1-oxododecylamino)propyl]-dimethylammonio]-5-sulfopentanoate IUPAC Name: 2-[[1-(dodecanoylamino)-3-hydroxypropyl]-dimethylazaniumyl]-2-(2-hydroxyethyl)-5-sulfopentanoate Traditional Name: 2-(2-hydroxyethyl)-2-[[3-hydroxy-1-(lauroylamino)propyl]-dimethyl-ammonio]-5-sulfo-valerate Formula: C24H48N2O8S MolecularWeight: 524.71152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCO)[N+](C)(C)C(CCCS(=O)(=O)O)(CCO)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCO)[N+](C)(C)C(CCCS(=O)(=O)O)(CCO)C(=O)[O-]

InChI

InChI=1S/C24H48N2O8S/c1-4-5-6-7-8-9-10-11-12-14-22(29)25-21(15-18-27)26(2,3)24(17-19-28,23(30)31)16-13-20-35(32,33)34/h21,27-28H,4-20H2,1-3H3,(H2-,25,29,30,31,32,33,34)