Molecule ID: 9877196

IUPAC Name: (1R,4R,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

Description: The molecule is a beta-lactone proteasome inhibitor derived from lactacystin. It has a role as a proteasome inhibitor. It is a beta-lactone and a lactam. It derives from a lactacystin.

SMILES: CCC[C@H]1C(O)=N[C@@]2([C@@H](O)C(C)C)C(=O)O[C@@H]12

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

InChI: InChI=1S/C12H19NO4/c1-4-5-7-9-12(11(16)17-9,13-10(7)15)8(14)6(2)3/h6-9,14H,4-5H2,1-3H3,(H,13,15)/t7-,8+,9+,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 75.6 Ų
- LogP: 1.6