Molecule ID: 137553757

IUPAC Name: (2S)-5-[(Z)-[amino(methylamino)methylidene]-hydroxyazaniumyl]-2-azaniumylpentanoate

Description: The molecule is an L-arginine derivative in which the omega-nitrogen atoms carries a hydroxy group and one of the omega-nitrogen atoms carries a methyl group; major species at pH 7.3. It is a L-arginine derivative and a non-proteinogenic L-alpha-amino acid. It derives from a L-argininium(1+).

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

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

InChI: InChI=1S/C7H16N4O3/c1-10-7(9)11(14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H3,9,10,12,13)/p+1/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -3.2