(phenylmethyl) (2S)-3-(3-acetyloxy-4-phenylmethoxy-phenyl)-2-[[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(3-acetyloxy-4-phenylmethoxy-phenyl)-2-[[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]amino]propanoate Openeye Name: benzyl (2S)-3-(3-acetoxy-4-benzyloxy-phenyl)-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]amino]propanoate CAS Name: (2S)-3-(3-acetyloxy-4-phenylmethoxyphenyl)-2-[[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(3-acetyloxy-4-phenylmethoxyphenyl)-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoate Traditional Name: (2S)-3-(3-acetoxy-4-benzoxy-phenyl)-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]amino]propionic acid benzyl ester Formula: C35H32F3NO7 MolecularWeight: 635.62629

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C35H32F3NO7/c1-24(40)46-31-21-27(18-19-30(31)44-22-25-12-6-3-7-13-25)20-29(32(41)45-23-26-14-8-4-9-15-26)39-33(42)34(43-2,35(36,37)38)28-16-10-5-11-17-28/h3-19,21,29H,20,22-23H2,1-2H3,(H,39,42)/t29-,34-/m0/s1