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

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-2-acetamido-3-methyl-butanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-acetamido-3-methyl-butanoate CAS Name: (2S)-2-acetamido-3-methylbutanoic 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-acetamido-3-methylbutanoate Traditional Name: (2S)-2-acetamido-3-methyl-butyric acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester Formula: C29H53NO5 MolecularWeight: 495.73482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H53NO5/c1-6-8-10-12-13-14-15-16-17-19-24(34-29(33)27(22(3)4)30-23(5)31)21-26-25(28(32)35-26)20-18-11-9-7-2/h22,24-27H,6-21H2,1-5H3,(H,30,31)/t24-,25-,26-,27-/m0/s1