[(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-1-methanoylpyrrolidine-2-carboxylate

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-1-methanoylpyrrolidine-2-carboxylate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-1-formylpyrrolidine-2-carboxylate CAS Name: (2S)-1-formyl-2-pyrrolidinecarboxylic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-1-formylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-formylpyrrolidine-2-carboxylic acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester Formula: C28H49NO5 MolecularWeight: 479.69236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C2CCCN2C=O

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@@H]2CCCN2C=O

InChI

InChI=1S/C28H49NO5/c1-3-5-7-9-10-11-12-13-14-17-23(33-28(32)25-19-16-20-29(25)22-30)21-26-24(27(31)34-26)18-15-8-6-4-2/h22-26H,3-21H2,1-2H3/t23-,24-,25-,26-/m0/s1