Molecule ID: 53477567

IUPAC Name: (2S)-2-amino-4-[(3S)-3-amino-3-carboxypropyl]sulfanylbutanoic acid

Description: The molecule is a sulfur-containing amino acid in which the gamma-carbon atoms of two molecules of L-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystathionine-gamma-lyase and a possible human hyperhomocysteinemia marker. It is a sulfur-containing amino acid, a non-proteinogenic L-alpha-amino acid and an organic sulfide.

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

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

InChI: InChI=1S/C8H16N2O4S/c9-5(7(11)12)1-3-15-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 152.0 Ų
- LogP: -5.6