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

Systemtic Name: methyl (2S)-3-[4-(5-iodanyl-2-oxidanyl-phenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-hydroxy-5-iodo-phenoxy)phenyl]propanoate CAS Name: (2S)-3-[4-(2-hydroxy-5-iodophenoxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(2-hydroxy-5-iodophenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-hydroxy-5-iodo-phenoxy)phenyl]propionic acid methyl ester Formula: C21H24INO6 MolecularWeight: 513.32283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2=C(C=CC(=C2)I)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC2=C(C=CC(=C2)I)O)C(=O)OC

InChI

InChI=1S/C21H24INO6/c1-21(2,3)29-20(26)23-16(19(25)27-4)11-13-5-8-15(9-6-13)28-18-12-14(22)7-10-17(18)24/h5-10,12,16,24H,11H2,1-4H3,(H,23,26)/t16-/m0/s1