(phenylmethyl) (2S)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-(4-iodophenyl)propanoate CAS Name: (2S)-3-(4-iodophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-iodophenyl)propionic acid benzyl ester Formula: C21H24INO4 MolecularWeight: 481.32403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24INO4/c1-21(2,3)27-20(25)23-18(13-15-9-11-17(22)12-10-15)19(24)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,25)/t18-/m0/s1