Molecule ID: 76116

IUPAC Name: (3S,6S)-3,6-dibenzylpiperazine-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 groups (the 3S,6S-diastereomer).

SMILES: OC1=N[C@@H](Cc2ccccc2)C(O)=N[C@H]1Cc1ccccc1

SELFIES: [O][C][=N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][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/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)/t15-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: 2.7