12,13-Dihydroprolyl-2-(1',1'-dimethylallyltryptophyl) diketopiperazine
AlkaPlorer ID: AK054475
Synonym: ''
IUPAC Name: (3S)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
Structure
SMILES: C=CC(C)(C)C1=C(C[C@@H]2N=C(O)C3=CCCN3C2=O)C2=CC=CC=C2N1
InChI: InChI=1S/C21H23N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-10,16,22H,1,7,11-12H2,2-3H3,(H,23,25)/t16-/m0/s1
InChIKey: JYWYHBYADQANKH-INIZCTEOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ustus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 349.434
TPSA？: 68.69
MolLogP？: 3.6289000000000016
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|