Molecule ID: 44298547

IUPAC Name: (2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of L-lysine. It derives from a L-isoleucine and a L-lysine.

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

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

InChI: InChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -3.3