3-[3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propanoyl]oxy-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid

Systemtic Name: 3-[3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propanoyl]oxy-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid Openeye Name: 3-[3-benzyloxy-2-(benzyloxycarbonylamino)propanoyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid CAS Name: 3-[1-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propoxy]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid IUPAC Name: 3-[3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propanoyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid Traditional Name: 3-[3-benzoxy-2-(benzyloxycarbonylamino)propanoyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]propionic acid Formula: C23H23F3N2O8 MolecularWeight: 512.43253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)OCC(C(=O)O)NC(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)OCC(C(=O)O)NC(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H23F3N2O8/c24-23(25,26)21(32)27-17(19(29)30)14-35-20(31)18(13-34-11-15-7-3-1-4-8-15)28-22(33)36-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,27,32)(H,28,33)(H,29,30)