[(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-azetidin-2-yl]heptan-2-yl] (2S)-2-formamido-3-methyl-butanoate

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-azetidin-2-yl]heptan-2-yl] (2S)-2-formamido-3-methyl-butanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-azetidin-2-yl]methyl]hexyl] (2S)-2-formamido-3-methyl-butanoate CAS Name: (2S)-2-formamido-3-methylbutanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-azetidinyl]heptan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxoazetidin-2-yl]heptan-2-yl] (2S)-2-formamido-3-methylbutanoate Traditional Name: (2S)-2-formamido-3-methyl-butyric acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-azetidin-2-yl]methyl]hexyl] ester Formula: C22H40N2O4 MolecularWeight: 396.564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC1=O)CC(CCCCC)OC(=O)C(C(C)C)NC=O

Isomeric SMILES

CCCCCC[C@H]1[C@@H](NC1=O)C[C@H](CCCCC)OC(=O)[C@H](C(C)C)NC=O

InChI

InChI=1S/C22H40N2O4/c1-5-7-9-11-13-18-19(24-21(18)26)14-17(12-10-8-6-2)28-22(27)20(16(3)4)23-15-25/h15-20H,5-14H2,1-4H3,(H,23,25)(H,24,26)/t17-,18-,19-,20-/m0/s1