Molecule ID: 102950

IUPAC Name: 2-amino-3-(2-amino-2-carboxyethyl)sulfanylpropanoic acid

Description: The molecule is an alanine derivative in which two alanine residues are linked on their beta-carbons by a thioether linkage. It has a role as a bacterial metabolite. It is an alanine derivative, an organic sulfide and a non-proteinogenic alpha-amino acid.

SMILES: NC(CSCC(N)C(=O)O)C(=O)O

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

InChI: InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 152.0 Ų
- LogP: -6.3