Molecule ID: 50909817

IUPAC Name: (2S)-2-(2-benzylimidazol-1-yl)-3-methyl-3-sulfanylbutanoic acid

Description: The molecule is a monocarboxylic acid that is D-penicillamine in which the amino group has been replaced by a consisting 2-benzyl-1H-imidazol-1-yl moiety. It is a member of imidazoles, a monocarboxylic acid, a thiol and a non-proteinogenic alpha-amino acid. It derives from a D-penicillamine.

SMILES: CC(C)(S)[C@H](C(=O)O)n1ccnc1Cc1ccccc1

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

InChI: InChI=1S/C15H18N2O2S/c1-15(2,20)13(14(18)19)17-9-8-16-12(17)10-11-6-4-3-5-7-11/h3-9,13,20H,10H2,1-2H3,(H,18,19)/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 56.1 Ų
- LogP: 2.6