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

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-1-phenylmethoxy-azetidin-2-yl]heptan-2-yl] (2S)-2-formamido-3-methyl-butanoate Openeye Name: [(1S)-1-[[(2S,3S)-1-benzyloxy-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-1-phenylmethoxy-2-azetidinyl]heptan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-1-phenylmethoxyazetidin-2-yl]heptan-2-yl] (2S)-2-formamido-3-methylbutanoate Traditional Name: (2S)-2-formamido-3-methyl-butyric acid [(1S)-1-[[(2S,3S)-1-benzoxy-3-hexyl-4-keto-azetidin-2-yl]methyl]hexyl] ester Formula: C29H46N2O5 MolecularWeight: 502.68594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(N(C1=O)OCC2=CC=CC=C2)CC(CCCCC)OC(=O)C(C(C)C)NC=O

Isomeric SMILES

CCCCCC[C@H]1[C@@H](N(C1=O)OCC2=CC=CC=C2)C[C@H](CCCCC)OC(=O)[C@H](C(C)C)NC=O

InChI

InChI=1S/C29H46N2O5/c1-5-7-9-14-18-25-26(31(28(25)33)35-20-23-15-12-10-13-16-23)19-24(17-11-8-6-2)36-29(34)27(22(3)4)30-21-32/h10,12-13,15-16,21-22,24-27H,5-9,11,14,17-20H2,1-4H3,(H,30,32)/t24-,25-,26-,27-/m0/s1