Molecule ID: 46878385

IUPAC Name: [(2S)-2-[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]propanoyl]oxy-3-hydroxypropyl] phosphate

Description: The molecule is the conjugate base of D-alanyl-L-alanyl poly(glycerol phosphate); major species at pH 7.3. It is a conjugate base of a D-alanyl-L-alanyl poly(glycerol phosphate).

SMILES: C[C@@H](N)C([O-])=N[C@H](C)C(=O)O[C@@H](CO)COP(=O)(O)O

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

InChI: InChI=1S/C9H19N2O8P/c1-5(10)8(13)11-6(2)9(14)19-7(3-12)4-18-20(15,16)17/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H2,15,16,17)/p-1/t5-,6-,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 176.0 Ų
- LogP: -5.5