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

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] 2-acetamidoethanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] 2-acetamidoacetate CAS Name: 2-acetamidoacetic 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] 2-acetamidoacetate Traditional Name: 2-acetamidoacetic acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester Formula: C26H47NO5 MolecularWeight: 453.65508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)20-27-21(3)28)19-24-23(26(30)32-24)18-16-9-7-5-2/h22-24H,4-20H2,1-3H3,(H,27,28)/t22-,23-,24-/m0/s1