(2S)-3-(3-iodanyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(3-iodanyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(4-benzyloxy-3-iodo-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(4-benzoxy-3-iodo-phenyl)-2-(tert-butoxycarbonylamino)propionic acid 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)OCC2=CC=CC=C2)I)C(=O)O

Isomeric SMILES

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

InChI

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