Molecule ID: 11438306

IUPAC Name: (3S,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

Description: The molecule is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which one hydrogen at position 3 and one hydrogen at position 6 are replaced by benzyl and 4-hydroxybenzyl groups (the 3S,6S-diastereomer).

SMILES: OC1=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@H]1Cc1ccccc1

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

InChI: InChI=1S/C18H18N2O3/c21-14-8-6-13(7-9-14)11-16-18(23)19-15(17(22)20-16)10-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11H2,(H,19,23)(H,20,22)/t15-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 78.4 Ų
- LogP: 2.3