ethyl 1-[2-(octadecanoylamino)-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[2-(octadecanoylamino)-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[3-hydroxy-2-(octadecanoylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-hydroxy-1-oxo-2-(1-oxooctadecylamino)propyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-hydroxy-2-(octadecanoylamino)propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-(3-hydroxy-2-stearamido-propanoyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C28H52N2O5 MolecularWeight: 496.72288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)N1CCCC1C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)N1CCCC1C(=O)OCC

InChI

InChI=1S/C28H52N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(32)29-24(23-31)27(33)30-22-19-20-25(30)28(34)35-4-2/h24-25,31H,3-23H2,1-2H3,(H,29,32)