(2S)-2-(dodecanoylamino)pentanedioate; tris(2-hydroxyethyl)azanium

Systemtic Name: (2S)-2-(dodecanoylamino)pentanedioate; tris(2-hydroxyethyl)azanium Openeye Name: (2S)-2-(dodecanoylamino)pentanedioate; tris(2-hydroxyethyl)ammonium CAS Name: (2S)-2-(1-oxododecylamino)pentanedioate; tris(2-hydroxyethyl)ammonium IUPAC Name: (2S)-2-(dodecanoylamino)pentanedioate; tris(2-hydroxyethyl)azanium Traditional Name: (2S)-2-(lauroylamino)glutarate; tris(2-hydroxyethyl)ammonium Formula: C29H61N3O11 MolecularWeight: 627.80814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C17H31NO5.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;2*8-4-1-7(2-5-9)3-6-10/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);2*8-10H,1-6H2/t14-;;/m0../s1