(phenylmethyl) (2S)-3-(5-iodanyl-2-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(5-iodanyl-2-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-3-(2-benzyloxy-5-iodo-phenyl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-(5-iodo-2-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(5-iodo-2-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(2-benzoxy-5-iodo-phenyl)-2-(tert-butoxycarbonylamino)propionic acid benzyl ester Formula: C28H30INO5 MolecularWeight: 587.44597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(C=CC(=C1)I)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=C(C=CC(=C1)I)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30INO5/c1-28(2,3)35-27(32)30-24(26(31)34-19-21-12-8-5-9-13-21)17-22-16-23(29)14-15-25(22)33-18-20-10-6-4-7-11-20/h4-16,24H,17-19H2,1-3H3,(H,30,32)/t24-/m0/s1