Molecule ID: 28094582

IUPAC Name: (2S)-2-azaniumyl-3-(3,5-diiodo-4-oxidophenyl)propanoate

Description: The molecule is an alpha-amino-acid anion that is the conjugate base of 3,5-diiodo-L-tyrosine. It has a role as a human metabolite. It is a conjugate base of a 3,5-diiodo-L-tyrosine.

SMILES: N[C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][I][=C][Branch1][C][O-1][C][Branch1][C][I][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 90.8 Ų
- LogP: 0.8