ethyl (3S,4R,5S)-4-acetamido-5-azido-2-fluoranyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3S,4R,5S)-4-acetamido-5-azido-2-fluoranyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3S,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-2-fluoro-cyclohexene-1-carboxylate CAS Name: (3S,4R,5S)-4-acetamido-5-azido-2-fluoro-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R,5S)-4-acetamido-5-azido-2-fluoro-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3S,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-2-fluoro-cyclohexene-1-carboxylic acid ethyl ester Formula: C16H25FN4O4 MolecularWeight: 356.392503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C(C(CC(=C1F)C(=O)OCC)N=[N+]=[N-])NC(=O)C

Isomeric SMILES

CCC(CC)O[C@H]1[C@@H]([C@H](CC(=C1F)C(=O)OCC)N=[N+]=[N-])NC(=O)C

InChI

InChI=1S/C16H25FN4O4/c1-5-10(6-2)25-15-13(17)11(16(23)24-7-3)8-12(20-21-18)14(15)19-9(4)22/h10,12,14-15H,5-8H2,1-4H3,(H,19,22)/t12-,14+,15+/m0/s1