Molecule ID: 6439225

IUPAC Name: methyl (2R)-2-amino-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoate

Description: The molecule is an alpha-amino acid ester that is the methyl ester of S-[(2E,6E)-farnesyl]-L-cysteine. It is a L-cysteine derivative and an alpha-amino acid ester. It derives from a S-[(2E,6E)-farnesyl]-L-cysteine.

SMILES: COC(=O)[C@@H](N)CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C

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

InChI: InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.6 Ų
- LogP: 5.1