Molecule ID: 3082239

IUPAC Name: (2S)-2-amino-3-[2-[[amino-(phosphonoamino)methylidene]amino]ethoxy-hydroxyphosphoryl]oxypropanoic acid

Description: The molecule is a phosphoramide consisting of L-lombricine having a phospho group attached to the guanidine. It derives from a L-lombricine. It is a conjugate acid of a N-phosphonato-L-lombricine(2-). It is an enantiomer of a N-phospho-D-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][N][P][=Branch1][C][=O][Branch1][C][O][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)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 227.0 Ų
- LogP: -7.4