Molecule ID: 137553759

IUPAC Name: (2S)-2-azaniumyl-5-[hydroxy-(N-hydroxy-N'-methylcarbamimidoyl)amino]pentanoate

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

SMILES: CN=C(NO)N(O)CCC[C@H](N)C(=O)O

SELFIES: [C][N][=C][Branch1][Ring1][N][O][N][Branch1][C][O][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H16N4O4/c1-9-7(10-14)11(15)4-2-3-5(8)6(12)13/h5,14-15H,2-4,8H2,1H3,(H,9,10)(H,12,13)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: -2.9