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

Systemtic Name: methyl (2S)-3-[3-bromanyl-5-[(5-iodanyl-2-oxidanyl-phenyl)methyl]-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[3-bromo-4-hydroxy-5-[(2-hydroxy-5-iodo-phenyl)methyl]phenyl]propanoate CAS Name: (2S)-3-[3-bromo-4-hydroxy-5-[(2-hydroxy-5-iodophenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-bromo-4-hydroxy-5-[(2-hydroxy-5-iodophenyl)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[3-bromo-4-hydroxy-5-(2-hydroxy-5-iodo-benzyl)phenyl]propionic acid methyl ester Formula: C25H23BrINO6 MolecularWeight: 640.26169

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)Br)O)CC2=C(C=CC(=C2)I)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C(=C1)Br)O)CC2=C(C=CC(=C2)I)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23BrINO6/c1-33-24(31)21(28-25(32)34-14-15-5-3-2-4-6-15)11-16-9-18(23(30)20(26)10-16)12-17-13-19(27)7-8-22(17)29/h2-10,13,21,29-30H,11-12,14H2,1H3,(H,28,32)/t21-/m0/s1