(phenylmethyl) (2S)-3-(3-iodanyl-4-phenylmethoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(3-iodanyl-4-phenylmethoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(4-benzyloxy-3-iodo-phenyl)propanoate CAS Name: (2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(4-benzoxy-3-iodo-phenyl)-2-(benzyloxycarbonylamino)propionic acid benzyl ester Formula: C31H28INO5 MolecularWeight: 621.46219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)I

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)I

InChI

InChI=1S/C31H28INO5/c32-27-18-26(16-17-29(27)36-20-23-10-4-1-5-11-23)19-28(30(34)37-21-24-12-6-2-7-13-24)33-31(35)38-22-25-14-8-3-9-15-25/h1-18,28H,19-22H2,(H,33,35)/t28-/m0/s1