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

Systemtic Name: aluminum 2-(hexadecanoylamino)-5-methoxy-5-oxidanylidene-pentanoate Openeye Name: aluminum 2-(hexadecanoylamino)-5-methoxy-5-oxo-pentanoate CAS Name: aluminum 5-methoxy-5-oxo-2-(1-oxohexadecylamino)pentanoate IUPAC Name: aluminum 2-(hexadecanoylamino)-5-methoxy-5-oxopentanoate Traditional Name: aluminum 5-keto-5-methoxy-2-palmitamido-valerate Formula: C66H120AlN3O15 MolecularWeight: 1222.651638

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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-].CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)OC)C(=O)[O-].[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)OC)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)OC)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)OC)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C22H41NO5.Al/c3*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;/h3*19H,3-18H2,1-2H3,(H,23,24)(H,26,27);/q;;;+3/p-3