Molecule ID: 15817006

IUPAC Name: (2S)-2-amino-3-(2,4-diiodo-1H-imidazol-5-yl)propanoic acid

Description: The molecule is an iodoamino acid that is L-histidine in which the imidazole ring is substituted by iodine at positions 2- and 5(4). It is an iodoamino acid, a non-proteinogenic L-alpha-amino acid and a L-histidine derivative.

SMILES: N[C@@H](Cc1nc(I)[nH]c1I)C(=O)O

SELFIES: [N][C@@H1][Branch1][=N][C][C][N][=C][Branch1][C][I][NH1][C][=Ring1][=Branch1][I][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H7I2N3O2/c7-4-3(10-6(8)11-4)1-2(9)5(12)13/h2H,1,9H2,(H,10,11)(H,12,13)/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 92.0 Ų
- LogP: -1.9