Molecule ID: 52921586

IUPAC Name: (2S)-6-acetamido-2-[[(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 alpha-nitrogen of N(epsilon)-acetylated L-lysine.

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

SELFIES: [C][C][Branch1][C][O][=N][C][C][C][C][C@H1][Branch1][=N][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)14-6-3-2-4-10(12(18)19)15-11(17)9(13)5-7-20/h9-10,20H,2-7,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -3.5