tert-butyl 3-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-3-yl}methyl)-1H-indole-1-carboxylate
AlkaPlorer ID: AK058215
Synonym: None
IUPAC Name: tert-butyl 3-[[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]indole-1-carboxylate
Structure
SMILES: CC(C)(C)OC(=O)N1C=C(C[C@@H]2N=C(O)[C@@H]3CCCN3C2=O)C2=CC=CC=C21
InChI: InChI=1S/C21H25N3O4/c1-21(2,3)28-20(27)24-12-13(14-7-4-5-8-16(14)24)11-15-19(26)23-10-6-9-17(23)18(25)22-15/h4-5,7-8,12,15,17H,6,9-11H2,1-3H3,(H,22,25)/t15-,17-/m0/s1
InChIKey: YMBWWWKPLURITN-RDJZCZTQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 383.4480000000001
TPSA？: 84.13
MolLogP？: 3.296700000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 6.7 | ug.mL-1 | 10.1016/j.bmcl.2015.06.010 |
| Escherichia coli | Escherichia coli | MIC | 20.0 | ug.mL-1 | 10.1016/j.bmcl.2015.06.010 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.9 | ug.mL-1 | 10.1016/j.bmcl.2015.06.010 |