(phenylmethyl) (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(trifluoromethylsulfonylamino)pentanoate

Systemtic Name: (phenylmethyl) (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(trifluoromethylsulfonylamino)pentanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-5-oxo-5-(trifluoromethylsulfonylamino)pentanoate CAS Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(trifluoromethylsulfonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(trifluoromethylsulfonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-(triflylamino)valeric acid benzyl ester Formula: C21H21F3N2O7S MolecularWeight: 502.46085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC(=O)NS(=O)(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)NS(=O)(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21F3N2O7S/c22-21(23,24)34(30,31)26-18(27)12-11-17(19(28)32-13-15-7-3-1-4-8-15)25-20(29)33-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,25,29)(H,26,27)/t17-/m0/s1