[(2S)-1-[(2S,3S)-3-ethyl-4-oxidanylidene-oxetan-2-yl]pentadecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate

Systemtic Name: [(2S)-1-[(2S,3S)-3-ethyl-4-oxidanylidene-oxetan-2-yl]pentadecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-ethyl-4-oxo-oxetan-2-yl]methyl]tetradecyl] (2S)-2-formamido-4-methyl-pentanoate CAS Name: (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-ethyl-4-oxo-2-oxetanyl]pentadecan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]pentadecan-2-yl] (2S)-2-formamido-4-methylpentanoate Traditional Name: (2S)-2-formamido-4-methyl-valeric acid [(1S)-1-[[(2S,3S)-3-ethyl-4-keto-oxetan-2-yl]methyl]tetradecyl] ester Formula: C27H49NO5 MolecularWeight: 467.68166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC1C(C(=O)O1)CC)OC(=O)C(CC(C)C)NC=O

Isomeric SMILES

CCCCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CC)OC(=O)[C@H](CC(C)C)NC=O

InChI

InChI=1S/C27H49NO5/c1-5-7-8-9-10-11-12-13-14-15-16-17-22(19-25-23(6-2)26(30)33-25)32-27(31)24(28-20-29)18-21(3)4/h20-25H,5-19H2,1-4H3,(H,28,29)/t22-,23-,24-,25-/m0/s1