calcium 2-(hexadecanoylamino)-4-methoxy-4-oxidanylidene-butanoate

Systemtic Name: calcium 2-(hexadecanoylamino)-4-methoxy-4-oxidanylidene-butanoate Openeye Name: calcium 2-(hexadecanoylamino)-4-methoxy-4-oxo-butanoate CAS Name: calcium 4-methoxy-4-oxo-2-(1-oxohexadecylamino)butanoate IUPAC Name: calcium 2-(hexadecanoylamino)-4-methoxy-4-oxobutanoate Traditional Name: calcium 4-keto-4-methoxy-2-palmitamido-butyrate Formula: C42H76CaN2O10 MolecularWeight: 809.13824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC(=O)OC)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)NC(CC(=O)OC)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CC(=O)OC)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)NC(CC(=O)OC)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C21H39NO5.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)22-18(21(25)26)17-20(24)27-2;/h2*18H,3-17H2,1-2H3,(H,22,23)(H,25,26);/q;;+2/p-2