sodium (4S)-4-(octadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: sodium (4S)-4-(octadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: sodium (4S)-5-hydroxy-4-(octadecanoylamino)-5-oxo-pentanoate CAS Name: sodium (4S)-5-hydroxy-5-oxo-4-(1-oxooctadecylamino)pentanoate IUPAC Name: sodium (4S)-5-hydroxy-4-(octadecanoylamino)-5-oxopentanoate Traditional Name: sodium (4S)-5-hydroxy-5-keto-4-stearamido-valerate Formula: C23H42NNaO5 MolecularWeight: 435.57305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+1/p-1/t20-;/m0./s1