calcium; (2S)-2-(dodecanoylamino)pentanedioate

Systemtic Name: calcium; (2S)-2-(dodecanoylamino)pentanedioate Openeye Name: calcium; (2S)-2-(dodecanoylamino)pentanedioate CAS Name: calcium; (2S)-2-(1-oxododecylamino)pentanedioate IUPAC Name: calcium; (2S)-2-(dodecanoylamino)pentanedioate Traditional Name: calcium; (2S)-2-(lauroylamino)glutarate Formula: C34H58CaN2O10-4 MolecularWeight: 694.90972

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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]

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]

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);/p-4/t2*14-;/m00./s1