cyclo(phe-leu)
AlkaPlorer ID: AK011065
Synonym: 'ZINC04026203'
IUPAC Name: (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1
InChIKey: QPDMOMIYLJMOQJ-STQMWFEESA-N
Reference
A Sorbicillinoid Urea from an Intertidal <i>Paecilomyces </i><i>marquandii</i>
PubChem CID: 7076347
CAS: 7280-77-5
LOTUS: LTS0068553
SuperNatural Ⅲ: SN0311445-04
NPASS: NPC161972
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Portulaca oleracea | Portulaca | Portulacaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 260.337
TPSA？: 65.18
MolLogP？: 2.939000000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | IZ | 10.0 | mm | 10.1021/np060315d |
| Escherichia coli | Escherichia coli | IZ | 8.0 | mm | 10.1021/np060315d |
| Fusobacterium nucleatum | Fusobacterium nucleatum | Inhibition | nan | % | 10.1016/j.bmc.2018.11.042 |
| Homo sapiens | Calpain 1 | Inhibition | 0.0 | % | 10.1016/j.bmcl.2005.04.031 |
| Porphyromonas gingivalis | Porphyromonas gingivalis | Inhibition | nan | % | 10.1016/j.bmc.2018.11.042 |
| Streptococcus mutans | Streptococcus mutans | GI | nan | None | 10.1016/j.bmc.2018.11.042 |
| Streptococcus mutans | Streptococcus mutans | Inhibition | nan | % | 10.1016/j.bmc.2018.11.042 |
| None | NON-PROTEIN TARGET | Inhibition | 0.0 | % | 10.1016/j.bmc.2012.01.050 |
| None | NON-PROTEIN TARGET | Inhibition | 23.5 | % | 10.1016/j.bmc.2012.01.050 |