Molecule ID: 25203234

IUPAC Name: (2S)-3-[2-[amino-(phosphonatoamino)methylidene]azaniumylethoxy-oxidophosphoryl]oxy-2-azaniumylpropanoate

Description: The molecule is an alpha-amino-acid anion obtained via deprotonation of the carboxy and phoisphate groups as well as protonation of the amino and guanidino groups of N-phospho-L-lombricine; major species at pH 7.3. It is an alpha-amino-acid anion and an organophosphate oxoanion. It is a conjugate base of a N-phospho-L-lombricine.

SMILES: N=C(NCCOP(=O)(O)OC[C@H](N)C(=O)[O-])NP(=O)([O-])O

SELFIES: [N][=C][Branch2][Ring1][#Branch1][N][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O-1][N][P][=Branch1][C][=O][Branch1][C][O-1][O]

InChI: InChI=1S/C6H16N4O9P2/c7-4(5(11)12)3-19-21(16,17)18-2-1-9-6(8)10-20(13,14)15/h4H,1-3,7H2,(H,11,12)(H,16,17)(H5,8,9,10,13,14,15)/p-2/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 242.0 Ų
- LogP: -7.0