Molecule ID: 9085

IUPAC Name: (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid

Description: The molecule is an L-lysine derivative that is the L-enantiomer of homoarginine. It has a role as an EC 3.1.3.1 (alkaline phosphatase) inhibitor, a human metabolite, a xenobiotic metabolite, a rat metabolite and a biomarker. It is a L-lysine derivative, a non-proteinogenic L-alpha-amino acid and a homoarginine. It is a conjugate base of a L-homoarginine(1+).

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

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

InChI: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: -3.7