Molecule ID: 834

IUPAC Name: 2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid

Description: The molecule is a modified amino acid generated by enzymic means from homocysteine and serine. It has a role as a metabolite. It is a member of cystathionines and an organic sulfide.

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

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

InChI: InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 152.0 Ų
- LogP: -6.0