[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22FN3O6S MolecularWeight: 403.425783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(=O)NC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C16H22FN3O6S/c1-10(20-27(24,25)12-7-5-11(17)6-8-12)14(22)26-9-13(21)18-15(23)19-16(2,3)4/h5-8,10,20H,9H2,1-4H3,(H2,18,19,21,23)/t10-/m0/s1