calcium 2-[3-(dodecanoylamino)propanoylamino]ethanesulfonate

Systemtic Name: calcium 2-[3-(dodecanoylamino)propanoylamino]ethanesulfonate Openeye Name: calcium 2-[3-(dodecanoylamino)propanoylamino]ethanesulfonate CAS Name: calcium 2-[[1-oxo-3-(1-oxododecylamino)propyl]amino]ethanesulfonate IUPAC Name: calcium 2-[3-(dodecanoylamino)propanoylamino]ethanesulfonate Traditional Name: calcium 2-[3-(lauroylamino)propanoylamino]ethanesulfonate Formula: C34H66CaN4O10S2 MolecularWeight: 795.11664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC(=O)NCCS(=O)(=O)[O-].CCCCCCCCCCCC(=O)NCCC(=O)NCCS(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC(=O)NCCS(=O)(=O)[O-].CCCCCCCCCCCC(=O)NCCC(=O)NCCS(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C17H34N2O5S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-12-17(21)19-14-15-25(22,23)24;/h2*2-15H2,1H3,(H,18,20)(H,19,21)(H,22,23,24);/q;;+2/p-2