2-[2-[dodecanoyl(2-hydroxyethyl)amino]ethyl-(2-oxidanyl-3-sulfo-propyl)amino]ethanoic acid

Systemtic Name: 2-[2-[dodecanoyl(2-hydroxyethyl)amino]ethyl-(2-oxidanyl-3-sulfo-propyl)amino]ethanoic acid Openeye Name: 2-[2-[dodecanoyl(2-hydroxyethyl)amino]ethyl-(2-hydroxy-3-sulfo-propyl)amino]acetic acid CAS Name: 2-[2-[2-hydroxyethyl(1-oxododecyl)amino]ethyl-(2-hydroxy-3-sulfopropyl)amino]acetic acid IUPAC Name: 2-[2-[dodecanoyl(2-hydroxyethyl)amino]ethyl-(2-hydroxy-3-sulfopropyl)amino]acetic acid Traditional Name: 2-[2-[2-hydroxyethyl(lauroyl)amino]ethyl-(2-hydroxy-3-sulfo-propyl)amino]acetic acid Formula: C21H42N2O8S MolecularWeight: 482.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(CCN(CC(CS(=O)(=O)O)O)CC(=O)O)CCO

Isomeric SMILES

CCCCCCCCCCCC(=O)N(CCN(CC(CS(=O)(=O)O)O)CC(=O)O)CCO

InChI

InChI=1S/C21H42N2O8S/c1-2-3-4-5-6-7-8-9-10-11-20(26)23(14-15-24)13-12-22(17-21(27)28)16-19(25)18-32(29,30)31/h19,24-25H,2-18H2,1H3,(H,27,28)(H,29,30,31)