sodium 2-azanyl-5-(hexadecanoylamino)-5-oxidanylidene-pentanoate

Systemtic Name: sodium 2-azanyl-5-(hexadecanoylamino)-5-oxidanylidene-pentanoate Openeye Name: sodium 2-amino-5-(hexadecanoylamino)-5-oxo-pentanoate CAS Name: sodium 2-amino-5-oxo-5-(1-oxohexadecylamino)pentanoate IUPAC Name: sodium 2-amino-5-(hexadecanoylamino)-5-oxopentanoate Traditional Name: sodium 2-amino-5-keto-5-palmitamido-valerate Formula: C21H39N2NaO4 MolecularWeight: 406.53513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)23-20(25)17-16-18(22)21(26)27;/h18H,2-17,22H2,1H3,(H,26,27)(H,23,24,25);/q;+1/p-1