Molecule ID: 21155368

IUPAC Name: 2-[[2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

Description: The molecule is a dipeptide comprising tyrosine with a tyrosyl residue attached to the alpha-nitrogen and with each tyrosine residue being substituted at the 3- and 5-positions by iodine. It is a dipeptide and an organoiodine compound. It derives from a tyrosine.

SMILES: NC(Cc1cc(I)c(O)c(I)c1)C(O)=NC(Cc1cc(I)c(O)c(I)c1)C(=O)O

SELFIES: [N][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][Branch1][C][O][=N][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H16I4N2O5/c19-9-1-7(2-10(20)15(9)25)5-13(23)17(27)24-14(18(28)29)6-8-3-11(21)16(26)12(22)4-8/h1-4,13-14,25-26H,5-6,23H2,(H,24,27)(H,28,29)

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: 1.0