Molecule ID: 53356665

IUPAC Name: (2R)-2-amino-3-[(2E,6E,10Z)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid

Description: The molecule is an L-cysteine thioether that is S-(2E,6E)-farnesyl-L-cysteine bearing a hydroxy substituent on the pro-Z-methyl group at the 12-position. It derives from a S-farnesyl-L-cysteine.

SMILES: C/C(=C/CC/C(C)=C/CC/C(C)=C/CSC[C@H](N)C(=O)O)CO

SELFIES: [C][/C][=Branch2][Ring1][N][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][O]

InChI: InChI=1S/C18H31NO3S/c1-14(7-5-9-16(3)12-20)6-4-8-15(2)10-11-23-13-17(19)18(21)22/h6,9-10,17,20H,4-5,7-8,11-13,19H2,1-3H3,(H,21,22)/b14-6+,15-10+,16-9-/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 1.2