Molecule ID: 137553761

IUPAC Name: (2S)-2-azaniumyl-5-[hydroxy-[methyl(nitroso)carbamoyl]amino]pentanoate

Description: The molecule is an L-citrulline derivative in which the delta-nitrogen atoms carries a hydroxy group, one of the omega-nitrogen atoms carries a methyl group and the other omega-nitrogen atoms carries a nitroso 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-citrulline zwitterion.

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

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

InChI: InChI=1S/C7H14N4O5/c1-10(9-15)7(14)11(16)4-2-3-5(8)6(12)13/h5,16H,2-4,8H2,1H3,(H,12,13)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -3.3