Molecule ID: 49852443

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

Description: The molecule is a tripeptide consisting of three tyrosine residues each of which is substituted at the 3- and 5-positions by iodine. It is a tripeptide and an organoiodine compound.

SMILES: NC(Cc1cc(I)c(O)c(I)c1)C(O)=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][=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/C27H23I6N3O7/c28-13-1-10(2-14(29)22(13)37)7-19(34)25(40)35-20(8-11-3-15(30)23(38)16(31)4-11)26(41)36-21(27(42)43)9-12-5-17(32)24(39)18(33)6-12/h1-6,19-21,37-39H,7-9,34H2,(H,35,40)(H,36,41)(H,42,43)

Molecular Properties:
- Polar Surface Area: 182.0 Ų
- LogP: 2.8