O1-tert-butyl O5-[(E)-3-phenylprop-2-enyl] (2S,3S)-3-propyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanedioate

Systemtic Name: O1-tert-butyl O5-[(E)-3-phenylprop-2-enyl] (2S,3S)-3-propyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanedioate Openeye Name: O1-tert-butyl O5-[(E)-cinnamyl] (2S,3S)-3-propyl-2-[(2,2,2-trifluoroacetyl)amino]pentanedioate CAS Name: (2S,3S)-3-propyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanedioic acid O1-tert-butyl ester O5-[(E)-3-phenylprop-2-enyl] ester IUPAC Name: 1-O-tert-butyl 5-O-[(E)-3-phenylprop-2-enyl] (2S,3S)-3-propyl-2-[(2,2,2-trifluoroacetyl)amino]pentanedioate Traditional Name: (2S,3S)-3-propyl-2-[(2,2,2-trifluoroacetyl)amino]glutaric acid O1-tert-butyl ester O5-[(E)-cinnamyl] ester Formula: C23H30F3NO5 MolecularWeight: 457.48321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)OCC=CC1=CC=CC=C1)C(C(=O)OC(C)(C)C)NC(=O)C(F)(F)F

Isomeric SMILES

CCC[C@@H](CC(=O)OC/C=C/C1=CC=CC=C1)[C@@H](C(=O)OC(C)(C)C)NC(=O)C(F)(F)F

InChI

InChI=1S/C23H30F3NO5/c1-5-10-17(15-18(28)31-14-9-13-16-11-7-6-8-12-16)19(20(29)32-22(2,3)4)27-21(30)23(24,25)26/h6-9,11-13,17,19H,5,10,14-15H2,1-4H3,(H,27,30)/b13-9+/t17-,19-/m0/s1