methyl (2S)-3-[4-acetyloxy-3-(2-acetyloxy-5-iodanyl-phenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[4-acetyloxy-3-(2-acetyloxy-5-iodanyl-phenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[4-acetoxy-3-(2-acetoxy-5-iodo-phenyl)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[4-acetyloxy-3-(2-acetyloxy-5-iodophenyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-acetyloxy-3-(2-acetyloxy-5-iodophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[4-acetoxy-3-(2-acetoxy-5-iodo-phenyl)phenyl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C25H28INO8 MolecularWeight: 597.39619

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)OC(C)(C)C)C2=C(C=CC(=C2)I)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C2=C(C=CC(=C2)I)OC(=O)C

InChI

InChI=1S/C25H28INO8/c1-14(28)33-21-9-7-16(12-20(23(30)32-6)27-24(31)35-25(3,4)5)11-18(21)19-13-17(26)8-10-22(19)34-15(2)29/h7-11,13,20H,12H2,1-6H3,(H,27,31)/t20-/m0/s1