Molecule ID: 447154

IUPAC Name: 5-[[(1S)-1-[hydroxy-[2-oxo-2-(2-phenylethylamino)ethoxy]phosphoryl]-2-phenylethyl]amino]-5-oxopentanoic acid

Description: The molecule is an optically active monocarboxylic acid also having amide and phosphonate functional groups. It has a role as an epitope. It is a monocarboxylic acid, an organic phosphonate and a dicarboxylic acid monoamide. It derives from a glutaric acid.

SMILES: O=C(O)CCCC(O)=N[C@H](Cc1ccccc1)P(=O)(O)OCC(O)=NCCc1ccccc1

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

InChI: InChI=1S/C23H29N2O7P/c26-20(12-7-13-23(28)29)25-22(16-19-10-5-2-6-11-19)33(30,31)32-17-21(27)24-15-14-18-8-3-1-4-9-18/h1-6,8-11,22H,7,12-17H2,(H,24,27)(H,25,26)(H,28,29)(H,30,31)/t22-/m0/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: 1.5