Molecule ID: 46931096

IUPAC Name: (2S)-2-azaniumyl-3-[2-(diaminomethylideneazaniumyl)ethoxy-oxidophosphoryl]oxypropanoate

Description: The molecule is a zwitterionic form of L-lombricine where the carboxy and phosphate groups are anionic and the amino and guanidino groups are cationic; major species at pH 7.3. It is a tautomer of a L-lombricine.

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

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

InChI: InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 192.0 Ų
- LogP: -5.6