Molecule ID: 22815452

IUPAC Name: methyl (2S)-2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoate

Description: The molecule is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate that has S configuration. It is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate and a L-alanine derivative. It is an enantiomer of a (R)-furalaxyl.

SMILES: COC(=O)[C@H](C)N(C(=O)c1ccco1)c1c(C)cccc1C

SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]

InChI: InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 59.8 Ų
- LogP: 2.6