tert-butyl 2-[(2S,3R)-3-azido-2-but-3-enyl-4-oxidanylidene-azetidin-1-yl]-2-diethoxyphosphoryl-ethanoate

Systemtic Name: tert-butyl 2-[(2S,3R)-3-azido-2-but-3-enyl-4-oxidanylidene-azetidin-1-yl]-2-diethoxyphosphoryl-ethanoate Openeye Name: tert-butyl 2-[(2S,3R)-3-azido-2-but-3-enyl-4-oxo-azetidin-1-yl]-2-diethoxyphosphoryl-acetate CAS Name: 2-[(2S,3R)-3-azido-2-but-3-enyl-4-oxo-1-azetidinyl]-2-diethoxyphosphorylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2S,3R)-3-azido-2-but-3-enyl-4-oxoazetidin-1-yl]-2-diethoxyphosphorylacetate Traditional Name: 2-[(2S,3R)-3-azido-2-but-3-enyl-4-keto-azetidin-1-yl]-2-diethoxyphosphoryl-acetic acid tert-butyl ester Formula: C17H29N4O6P MolecularWeight: 416.409121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=O)OC(C)(C)C)N1C(C(C1=O)N=[N+]=[N-])CCC=C)OCC

Isomeric SMILES

CCOP(=O)(C(C(=O)OC(C)(C)C)N1[C@H]([C@H](C1=O)N=[N+]=[N-])CCC=C)OCC

InChI

InChI=1S/C17H29N4O6P/c1-7-10-11-12-13(19-20-18)14(22)21(12)15(16(23)27-17(4,5)6)28(24,25-8-2)26-9-3/h7,12-13,15H,1,8-11H2,2-6H3/t12-,13+,15?/m0/s1