Molecule ID: 124202357

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

Description: The molecule is an L-cysteine derivative obtained by formal condensation of the carboxy group of octanoic acid with the side-chain thiol group of L-cysteine. It is a L-cysteine derivative, a non-proteinogenic L-alpha-amino acid and a thioester. It derives from an octanoic acid.

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

SELFIES: [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/C11H21NO3S/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 0.1