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

Systemtic Name: (phenylmethyl) (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoate CAS Name: (2S)-3-(4-hydroxy-3-iodophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(4-hydroxy-3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propionic acid benzyl ester Formula: C21H24INO5 MolecularWeight: 497.32343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24INO5/c1-21(2,3)28-20(26)23-17(12-15-9-10-18(24)16(22)11-15)19(25)27-13-14-7-5-4-6-8-14/h4-11,17,24H,12-13H2,1-3H3,(H,23,26)/t17-/m0/s1