Molecule ID: 57339222

IUPAC Name: (2S)-2-amino-6-[[(2R,3R)-2,5-diamino-3-methylpentanoyl]amino]hexanoic acid

Description: The molecule is a dipeptide formed by formal condensation of the carboxy group of (3R)-3-methyl-D-ornithine with the side-chain amino group of L-lysine. It is a conjugate base of a N(6)-[(3R)-3-methyl-D-ornithyl]-L-lysine(2+).

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

SELFIES: [C][C@H1][Branch1][Ring2][C][C][N][C@@H1][Branch1][C][N][C][Branch1][C][O][=N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H26N4O3/c1-8(5-6-13)10(15)11(17)16-7-3-2-4-9(14)12(18)19/h8-10H,2-7,13-15H2,1H3,(H,16,17)(H,18,19)/t8-,9+,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: -3.6