Molecule ID: 139036294

IUPAC Name: (2S)-5-[[amino-(hydroxyamino)methylidene]-methylazaniumyl]-2-azaniumylpentanoate

Description: The molecule is an L-arginine derivative in which the omega-nitrogen atom carries a hydroxy group and the delta-nitrogen atom carries a methyl group; major species at pH 7.3. It derives from a L-argininium(1+).

SMILES: CN(CCC[C@H]([NH3+])C(=O)O)C(=[NH2+])[N-]O

SELFIES: [C][N][Branch1][=N][C][C][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O][C][=Branch1][C][=NH2+1][N-1][O]

InChI: InChI=1S/C7H16N4O3/c1-11(7(9)10-14)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H4,9,10,12,13,14)/p+1/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -3.7