[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C28H28FNO5 MolecularWeight: 477.524023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C2C(=CC(=C1)F)CO[C@@H](O2)C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H28FNO5/c1-18(2)25(30-24(31)13-19-9-5-3-6-10-19)27(32)33-16-21-14-23(29)15-22-17-34-28(35-26(21)22)20-11-7-4-8-12-20/h3-12,14-15,18,25,28H,13,16-17H2,1-2H3,(H,30,31)/t25-,28-/m0/s1