tert-butyl (3S)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pentanoate

Systemtic Name: tert-butyl (3S)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pentanoate Openeye Name: tert-butyl (3S)-3-(benzyloxycarbonylamino)-4-oxo-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pentanoate CAS Name: (3S)-4-oxo-3-(phenylmethoxycarbonylamino)-5-[[2-phenyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-oxo-3-(phenylmethoxycarbonylamino)-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxypentanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-keto-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-valeric acid tert-butyl ester Formula: C27H28F3N3O6 MolecularWeight: 547.52293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)COC1=CC(=NN1C2=CC=CC=C2)C(F)(F)F)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)COC1=CC(=NN1C2=CC=CC=C2)C(F)(F)F)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28F3N3O6/c1-26(2,3)39-24(35)14-20(31-25(36)38-16-18-10-6-4-7-11-18)21(34)17-37-23-15-22(27(28,29)30)32-33(23)19-12-8-5-9-13-19/h4-13,15,20H,14,16-17H2,1-3H3,(H,31,36)/t20-/m0/s1