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

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-2-azanylpropanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic 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)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester Formula: C25H47NO4 MolecularWeight: 425.64498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO4/c1-4-6-8-10-11-12-13-14-15-17-21(29-24(27)20(3)26)19-23-22(25(28)30-23)18-16-9-7-5-2/h20-23H,4-19,26H2,1-3H3/t20-,21-,22-,23-/m0/s1