tert-butyl 2-[(3R,4R)-3-azido-2-oxidanylidene-4-(2-phenylethynyl)azetidin-1-yl]-2-dimethoxyphosphoryl-ethanoate

Systemtic Name: tert-butyl 2-[(3R,4R)-3-azido-2-oxidanylidene-4-(2-phenylethynyl)azetidin-1-yl]-2-dimethoxyphosphoryl-ethanoate Openeye Name: tert-butyl 2-[(3R,4R)-3-azido-2-oxo-4-(2-phenylethynyl)azetidin-1-yl]-2-dimethoxyphosphoryl-acetate CAS Name: 2-[(3R,4R)-3-azido-2-oxo-4-(2-phenylethynyl)-1-azetidinyl]-2-dimethoxyphosphorylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R,4R)-3-azido-2-oxo-4-(2-phenylethynyl)azetidin-1-yl]-2-dimethoxyphosphorylacetate Traditional Name: 2-[(3R,4R)-3-azido-2-keto-4-(2-phenylethynyl)azetidin-1-yl]-2-dimethoxyphosphoryl-acetic acid tert-butyl ester Formula: C19H23N4O6P MolecularWeight: 434.382881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(N1C(C(C1=O)N=[N+]=[N-])C#CC2=CC=CC=C2)P(=O)(OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(N1[C@@H]([C@H](C1=O)N=[N+]=[N-])C#CC2=CC=CC=C2)P(=O)(OC)OC

InChI

InChI=1S/C19H23N4O6P/c1-19(2,3)29-18(25)17(30(26,27-4)28-5)23-14(15(16(23)24)21-22-20)12-11-13-9-7-6-8-10-13/h6-10,14-15,17H,1-5H3/t14-,15-,17?/m1/s1