Molecule ID: 70698047

IUPAC Name: (1R,6R,7S,9R,11R)-1',6,10,10,13-pentamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,3'-pyrrolidine]-2',5',14-trione

Description: The molecule is an alkaloid isolated from Aspergillus aculeatus. It has a role as an Aspergillus metabolite. It is an alkaloid, an azaspiro compound and a dicarboximide.

SMILES: C[C@@H]1CCN2C[C@@]34C[C@@]5(CC(=O)N(C)C5=O)C(C)(C)[C@H]3C[C@@]12C(=O)N4C

SELFIES: [C][C@@H1][C][C][N][C][C@@][C][C@@][Branch1][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=C][C][C@@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C]

InChI: InChI=1S/C20H29N3O3/c1-12-6-7-23-11-19-10-18(9-14(24)21(4)15(18)25)17(2,3)13(19)8-20(12,23)16(26)22(19)5/h12-13H,6-11H2,1-5H3/t12-,13-,18-,19+,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 60.9 Ų
- LogP: 0.7