methyl (2S)-3-[3-[(5-tert-butyl-2-oxidanyl-phenyl)methyl]-5-iodanyl-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3-[(5-tert-butyl-2-oxidanyl-phenyl)methyl]-5-iodanyl-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[3-[(5-tert-butyl-2-hydroxy-phenyl)methyl]-4-hydroxy-5-iodo-phenyl]propanoate CAS Name: (2S)-3-[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-iodophenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-iodophenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[3-(5-tert-butyl-2-hydroxy-benzyl)-4-hydroxy-5-iodo-phenyl]propionic acid methyl ester Formula: C29H32INO6 MolecularWeight: 617.47195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32INO6/c1-29(2,3)22-10-11-25(32)20(16-22)15-21-12-19(13-23(30)26(21)33)14-24(27(34)36-4)31-28(35)37-17-18-8-6-5-7-9-18/h5-13,16,24,32-33H,14-15,17H2,1-4H3,(H,31,35)/t24-/m0/s1