barium(2+); (2S)-2-(octadecanoylamino)pentanedioate

Systemtic Name: barium(2+); (2S)-2-(octadecanoylamino)pentanedioate Openeye Name: barium(2+); (2S)-2-(octadecanoylamino)pentanedioate CAS Name: barium(2+); (2S)-2-(1-oxooctadecylamino)pentanedioate IUPAC Name: barium(2+); (2S)-2-(octadecanoylamino)pentanedioate Traditional Name: barium(2+); (2S)-2-stearamidoglutarate Formula: C23H41BaNO5 MolecularWeight: 548.90234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ba+2]

InChI

InChI=1S/C23H43NO5.Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2/t20-;/m0./s1