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

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] 3-formamidopropanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] 3-formamidopropanoate CAS Name: 3-formamidopropanoic 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] 3-formamidopropanoate Traditional Name: 3-formamidopropionic 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)CCNC=O

Isomeric SMILES

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

InChI

InChI=1S/C26H47NO5/c1-3-5-7-9-10-11-12-13-14-16-22(31-25(29)18-19-27-21-28)20-24-23(26(30)32-24)17-15-8-6-4-2/h21-24H,3-20H2,1-2H3,(H,27,28)/t22-,23-,24-/m0/s1