Molecule ID: 91530202

IUPAC Name: (2S)-2-amino-3-(6,7-dichloro-1H-indol-3-yl)propanoic acid

Description: The molecule is a non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogens at positions 6 and 7 on the indole ring have been replaced by chlorines. It is a L-tryptophan derivative, a non-proteinogenic L-alpha-amino acid and an organochlorine compound. It is a tautomer of a 6,7-dichloro-L-tryptophan zwitterion.

SMILES: N[C@@H](Cc1c[nH]c2c(Cl)c(Cl)ccc12)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][NH1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H10Cl2N2O2/c12-7-2-1-6-5(3-8(14)11(16)17)4-15-10(6)9(7)13/h1-2,4,8,15H,3,14H2,(H,16,17)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 79.1 Ų
- LogP: 0.0