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

Systemtic Name: (phenylmethyl) (2S)-3-(3-iodanyl-4-methoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-(3-iodo-4-methoxy-phenyl)propanoate CAS Name: (2S)-3-(3-iodo-4-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(3-iodo-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3-iodo-4-methoxy-phenyl)propionic acid benzyl ester Formula: C22H26INO5 MolecularWeight: 511.35001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26INO5/c1-22(2,3)29-21(26)24-18(13-16-10-11-19(27-4)17(23)12-16)20(25)28-14-15-8-6-5-7-9-15/h5-12,18H,13-14H2,1-4H3,(H,24,26)/t18-/m0/s1