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

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] 3-azanylpropanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] 3-aminopropanoate CAS Name: 3-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] 3-aminopropanoate Traditional Name: 3-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)CCN

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO4/c1-3-5-7-9-10-11-12-13-14-16-21(29-24(27)18-19-26)20-23-22(25(28)30-23)17-15-8-6-4-2/h21-23H,3-20,26H2,1-2H3/t21-,22-,23-/m0/s1