Molecule ID: 24755553

IUPAC Name: methyl 2-[(2,6-dichlorobenzoyl)amino]-3-(2-phenoxyquinolin-6-yl)propanoate

Description: The molecule is a non-proteinogenic amino acid derivative that is the methyl ester of N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine. It is a dichlorobenzene, a non-proteinogenic amino acid derivative, a member of quinolines and an aromatic ether. It derives from a N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine.

SMILES: COC(=O)C(Cc1ccc2nc(Oc3ccccc3)ccc2c1)N=C(O)c1c(Cl)cccc1Cl

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

InChI: InChI=1S/C26H20Cl2N2O4/c1-33-26(32)22(30-25(31)24-19(27)8-5-9-20(24)28)15-16-10-12-21-17(14-16)11-13-23(29-21)34-18-6-3-2-4-7-18/h2-14,22H,15H2,1H3,(H,30,31)

Molecular Properties:
- Polar Surface Area: 77.5 Ų
- LogP: 6.5