O1-tert-butyl O2-[(5S)-11-oxidanylundecan-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[(5S)-11-oxidanylundecan-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[(1S)-1-butyl-7-hydroxy-heptyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(5S)-11-hydroxyundecan-5-yl] ester IUPAC Name: 1-O-tert-butyl 2-O-[(5S)-11-hydroxyundecan-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(1S)-1-butyl-7-hydroxy-heptyl] ester Formula: C21H39NO5 MolecularWeight: 385.53806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCO)OC(=O)C1CCCN1C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](CCCCCCO)OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C21H39NO5/c1-5-6-12-17(13-9-7-8-10-16-23)26-19(24)18-14-11-15-22(18)20(25)27-21(2,3)4/h17-18,23H,5-16H2,1-4H3/t17-,18-/m0/s1