Molecule ID: 4868168

IUPAC Name: 2-azaniumyl-4-[(3-azaniumyl-3-carboxylatopropyl)disulfanyl]butanoate

Description: The molecule is dizwitterionic form of homocystine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3. It has a role as a human metabolite. It is a tautomer of a homocystine.

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

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

InChI: InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)

Molecular Properties:
- Polar Surface Area: 186.0 Ų
- LogP: -4.3