Molecule ID: 5284544

IUPAC Name: 2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

Description: The molecule is an N-acetylglycinate salt resulting from the reaction of diminazene with 2 mol eq. of N-acetylglycine. It has a role as an antiparasitic agent and a trypanocidal drug. It contains a diminazene(2+).

SMILES: CC(O)=NCC(=O)O.CC(O)=NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1

SELFIES: [C][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O].[C][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O].[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][=N][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C]

InChI: InChI=1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)

Molecular Properties:
- Polar Surface Area: 269.0 Ų
- LogP: nan