Molecule ID: 52921585

IUPAC Name: (2S)-2-acetamido-6-[[(2S)-2-amino-4-sulfanylbutanoyl]amino]hexanoic acid

Description: The molecule is a dipeptide in which the carboxy group of L-homocysteine forms an amide bond with the epsilon-nitrogen of N(alpha)-acetylated L-lysine

SMILES: CC(O)=N[C@@H](CCCCN=C(O)[C@@H](N)CCS)C(=O)O

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

InChI: InChI=1S/C12H23N3O4S/c1-8(16)15-10(12(18)19)4-2-3-6-14-11(17)9(13)5-7-20/h9-10,20H,2-7,13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -3.0