octadecanoic acid; 5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: octadecanoic acid; 5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: 5-oxopyrrolidine-2-carboxylate; stearic acid CAS Name: octadecanoic acid; 5-oxo-2-pyrrolidinecarboxylate IUPAC Name: octadecanoic acid; 5-oxopyrrolidine-2-carboxylate Traditional Name: stearic acid pyroglutamate Formula: C23H42NO5- MolecularWeight: 412.58328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.C1CC(=O)NC1C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.C1CC(=O)NC1C(=O)[O-]

InChI

InChI=1S/C18H36O2.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-4-2-1-3(6-4)5(8)9/h2-17H2,1H3,(H,19,20);3H,1-2H2,(H,6,7)(H,8,9)/p-1