Molecule ID: 13000995

IUPAC Name: 2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid

Description: The molecule is a deuterated compound that is phenylalanine in which the five aromatic hydrogens are replaced by deuterium. It is a deuterated compound and a non-proteinogenic alpha-amino acid.

SMILES: [2H]c1c([2H])c([2H])c(CC(N)C(=O)O)c([2H])c1[2H]

SELFIES: [2H][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Branch1][O][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][Branch1][C][2H][=C][Ring1][#C][2H]

InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i1D,2D,3D,4D,5D

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -1.5