Molecule ID: 439986

IUPAC Name: (2S)-2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid

Description: The molecule is a chloroamino acid that is L-tyrosine carrying chloro- substituents at positions C-3 and C-5 of the benzyl group. It is a dihalogenated L-tyrosine, a dichlorobenzene, a non-proteinogenic L-alpha-amino acid and a chloroamino acid.

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

SELFIES: [N][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H9Cl2NO3/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)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: -0.5