(2S)-3-(2-iodanyl-4-methoxy-5-methyl-3-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(2-iodanyl-4-methoxy-5-methyl-3-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(3-benzyloxy-2-iodo-4-methoxy-5-methyl-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(3-benzoxy-2-iodo-4-methoxy-5-methyl-phenyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C23H28INO6 MolecularWeight: 541.37599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC)OCC2=CC=CC=C2)I)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1OC)OCC2=CC=CC=C2)I)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H28INO6/c1-14-11-16(12-17(21(26)27)25-22(28)31-23(2,3)4)18(24)20(19(14)29-5)30-13-15-9-7-6-8-10-15/h6-11,17H,12-13H2,1-5H3,(H,25,28)(H,26,27)/t17-/m0/s1