Molecule ID: 24892747

IUPAC Name: [(2S)-1-hydroxy-3-phosphonooxypropan-2-yl] (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate

Description: The molecule is a poly(glycerol phosphate) compound having a D-alanyl-L-alanyl moiety attached to the hydroxy group of the repeating unit. It is a conjugate acid of a D-alanyl-L-alanyl poly(glycerol phosphate)(1-).

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][=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)/t5-,6-,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 168.0 Ų
- LogP: -5.3