Molecule ID: 11109085

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

Description: The molecule is an L-tyrosine derivative in which an L-tyrosine core has two chloro substituents at each position ortho to the benzyl hydroxy group and an acetyl substituent on the nitrogen atom. It is a dichlorobenzene and a L-tyrosine derivative.

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

SELFIES: [C][C][Branch1][C][O][=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/C11H11Cl2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: 2.0