calcium 2-(hexadecanoylamino)-5-methoxy-5-oxidanylidene-pentanoate

Systemtic Name: calcium 2-(hexadecanoylamino)-5-methoxy-5-oxidanylidene-pentanoate Openeye Name: calcium 2-(hexadecanoylamino)-5-methoxy-5-oxo-pentanoate CAS Name: calcium 5-methoxy-5-oxo-2-(1-oxohexadecylamino)pentanoate IUPAC Name: calcium 2-(hexadecanoylamino)-5-methoxy-5-oxopentanoate Traditional Name: calcium 5-keto-5-methoxy-2-palmitamido-valerate Formula: C44H80CaN2O10 MolecularWeight: 837.1914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H41NO5.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)23-19(22(26)27)17-18-21(25)28-2;/h2*19H,3-18H2,1-2H3,(H,23,24)(H,26,27);/q;;+2/p-2