Molecule ID: 439948

IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid

Description: The molecule is a non-proteinogenic L-alpha-amino acid that is L-tyrosine substituted by nitro groups at positions 3 and 5. It is a non-proteinogenic L-alpha-amino acid, a C-nitro compound and a L-tyrosine derivative.

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

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

InChI: InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 175.0 Ų
- LogP: -1.6