calcium (2S)-2-(dodecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: calcium (2S)-2-(dodecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: calcium (2S)-2-(dodecanoylamino)-5-hydroxy-5-oxo-pentanoate CAS Name: calcium (2S)-5-hydroxy-5-oxo-2-(1-oxododecylamino)pentanoate IUPAC Name: calcium (2S)-2-(dodecanoylamino)-5-hydroxy-5-oxopentanoate Traditional Name: calcium (2S)-5-hydroxy-5-keto-2-(lauroylamino)valerate Formula: C34H60CaN2O10 MolecularWeight: 696.9256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)[O-].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C17H31NO5.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;/h2*14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);/q;;+2/p-2/t2*14-;/m00./s1