2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]ethanesulfonic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methylbutanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]ethanesulfonic acid Formula: C41H80N2O7S MolecularWeight: 745.1481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(C(C)C)C(=O)NCCS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(C(C)C)C(=O)NCCS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H80N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(35-38(44)43-40(36(3)4)41(46)42-33-34-51(47,48)49)50-39(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36-37,40H,5-35H2,1-4H3,(H,42,46)(H,43,44)(H,47,48,49)