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

Systemtic Name: (phenylmethyl) (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoate CAS Name: (2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propionic acid benzyl ester Formula: C24H22INO5 MolecularWeight: 531.33965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC(=C(C=C2)O)I)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC(=C(C=C2)O)I)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H22INO5/c25-20-13-19(11-12-22(20)27)14-21(23(28)30-15-17-7-3-1-4-8-17)26-24(29)31-16-18-9-5-2-6-10-18/h1-13,21,27H,14-16H2,(H,26,29)/t21-/m0/s1