Molecule ID: 439579

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

Description: The molecule is a homocystine in which both chiral centres have L configuration. It derives from a L-homocysteine. It is a tautomer of a L,L-homocystine zwitterion.

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

SELFIES: [N][C@@H1][Branch1][S][C][C][S][S][C][C][C@H1][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)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 177.0 Ų
- LogP: -5.6