[(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-1-phenylmethoxy-azetidin-2-yl]tridecan-2-yl] 2-formamidoethanoate

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-1-phenylmethoxy-azetidin-2-yl]tridecan-2-yl] 2-formamidoethanoate Openeye Name: [(1S)-1-[[(2S,3S)-1-benzyloxy-3-hexyl-4-oxo-azetidin-2-yl]methyl]dodecyl] 2-formamidoacetate CAS Name: 2-formamidoacetic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-1-phenylmethoxy-2-azetidinyl]tridecan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-1-phenylmethoxyazetidin-2-yl]tridecan-2-yl] 2-formamidoacetate Traditional Name: 2-formamidoacetic acid [(1S)-1-[[(2S,3S)-1-benzoxy-3-hexyl-4-keto-azetidin-2-yl]methyl]dodecyl] ester Formula: C32H52N2O5 MolecularWeight: 544.76568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=O)N1OCC2=CC=CC=C2)CCCCCC)OC(=O)CNC=O

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)N1OCC2=CC=CC=C2)CCCCCC)OC(=O)CNC=O

InChI

InChI=1S/C32H52N2O5/c1-3-5-7-9-10-11-12-13-17-21-28(39-31(36)24-33-26-35)23-30-29(22-18-8-6-4-2)32(37)34(30)38-25-27-19-15-14-16-20-27/h14-16,19-20,26,28-30H,3-13,17-18,21-25H2,1-2H3,(H,33,35)/t28-,29-,30-/m0/s1