tert-butyl (2S,5R)-5-[(Z)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]-3-oxidanylidene-prop-1-enyl]-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,5R)-5-[(Z)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]-3-oxidanylidene-prop-1-enyl]-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,5R)-5-[(Z)-2-[benzyloxycarbonyl(tert-butoxycarbonyl)amino]-3-methoxy-3-oxo-prop-1-enyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate CAS Name: (2S,5R)-5-[(Z)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxycarbonylamino]-3-oxoprop-1-enyl]-1-(2,2,2-trifluoro-1-oxoethyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-5-[(Z)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]-3-oxoprop-1-enyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate Traditional Name: (2S,5R)-5-[(Z)-2-[tert-butoxycarbonyl(carbobenzoxy)amino]-3-keto-3-methoxy-prop-1-enyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H35F3N2O9 MolecularWeight: 600.58071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(N1C(=O)C(F)(F)F)C=C(C(=O)OC)N(C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CC[C@@H](N1C(=O)C(F)(F)F)/C=C(/C(=O)OC)\N(C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H35F3N2O9/c1-26(2,3)41-22(35)19-14-13-18(32(19)23(36)28(29,30)31)15-20(21(34)39-7)33(25(38)42-27(4,5)6)24(37)40-16-17-11-9-8-10-12-17/h8-12,15,18-19H,13-14,16H2,1-7H3/b20-15-/t18-,19+/m1/s1