Molecule ID: 10007018

IUPAC Name: 2-[(2,6-dichlorobenzoyl)amino]-3-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]propanoic acid

Description: The molecule is an N-acyl amino acid that is N-(2,6-dichlorobenzoyl)alanine in which one of the hydrogens at the beta position has been replaced by a N 6-(2,6-dimethoxyphenyl)-2-naphthyl group. It is a member of naphthalenes, a dichlorobenzene, a N-acyl-amino acid and a non-proteinogenic amino acid derivative. It contains a 2,6-dichlorobenzoyl group.

SMILES: COc1cccc(OC)c1-c1ccc2cc(CC(N=C(O)c3c(Cl)cccc3Cl)C(=O)O)ccc2c1

SELFIES: [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Branch2][Ring1][N][C][C][Branch2][Ring1][C][N][=C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]

InChI: InChI=1S/C28H23Cl2NO5/c1-35-23-7-4-8-24(36-2)25(23)19-12-11-17-13-16(9-10-18(17)15-19)14-22(28(33)34)31-27(32)26-20(29)5-3-6-21(26)30/h3-13,15,22H,14H2,1-2H3,(H,31,32)(H,33,34)

Molecular Properties:
- Polar Surface Area: 84.9 Ų
- LogP: 6.9