2-methylpropoxycarbonyl (2S)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 2-methylpropoxycarbonyl (2S)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: isobutoxycarbonyl (2S)-2-(benzyloxycarbonylamino)-3-(4-fluorophenyl)propanoate CAS Name: (2S)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid [2-methylpropoxy(oxo)methyl] ester IUPAC Name: 2-methylpropoxycarbonyl (2S)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-fluorophenyl)propionic acid isobutoxycarbonyl ester Formula: C22H24FNO6 MolecularWeight: 417.427463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OC(=O)C(CC1=CC=C(C=C1)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC(=O)OC(=O)[C@H](CC1=CC=C(C=C1)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24FNO6/c1-15(2)13-29-22(27)30-20(25)19(12-16-8-10-18(23)11-9-16)24-21(26)28-14-17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3,(H,24,26)/t19-/m0/s1