Molecule ID: 54671997

IUPAC Name: (3S,6R,8aS)-6-hydroxy-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Description: The molecule is a pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione substituted by a hydroxy group at position 6 and a 2-methylpropyl group at position 3. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a fungal metabolite. It is a pyrrolopyrazine and a dipeptide.

SMILES: CC(C)C[C@@H]1N=C(O)[C@@H]2CC[C@@H](O)N2C1=O

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

InChI: InChI=1S/C11H18N2O3/c1-6(2)5-7-11(16)13-8(10(15)12-7)3-4-9(13)14/h6-9,14H,3-5H2,1-2H3,(H,12,15)/t7-,8-,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 0.6