Molecule ID: 46937142

IUPAC Name: (2R)-2-amino-3-hexadecanoylsulfanylpropanoic acid

Description: The molecule is a palmitoyl-L-cysteine in which the palmitoyl group is attached to the sulfur via a thioester linkage. It is a palmitoyl-L-cysteine, a S-palmitoyl amino acid and a S-(long-chain fatty acyl)-L-cysteine.

SMILES: CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(=O)O

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

InChI: InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 4.4