[(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [(1R)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21FN2O6S MolecularWeight: 388.411143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C16H21FN2O6S/c1-10(2)18-16(22)19-15(21)11(3)25-14(20)8-9-26(23,24)13-6-4-12(17)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,21,22)/t11-/m1/s1