sodium (2S)-5-azanyl-2-(dodecanoylamino)-5-oxidanylidene-pentanoate

Systemtic Name: sodium (2S)-5-azanyl-2-(dodecanoylamino)-5-oxidanylidene-pentanoate Openeye Name: sodium (2S)-5-amino-2-(dodecanoylamino)-5-oxo-pentanoate CAS Name: sodium (2S)-5-amino-5-oxo-2-(1-oxododecylamino)pentanoate IUPAC Name: sodium (2S)-5-amino-2-(dodecanoylamino)-5-oxopentanoate Traditional Name: sodium (2S)-5-amino-5-keto-2-(lauroylamino)valerate Formula: C17H31N2NaO4 MolecularWeight: 350.42881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCC(=O)N)C(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H32N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-16(21)19-14(17(22)23)12-13-15(18)20;/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23);/q;+1/p-1/t14-;/m0./s1