Cyclo(alanyltryptophyl); (3R,6R)-form, 3,6-Bis(methylthio)
AlkaPlorer ID: AK293457
Synonym: 3-(1H-Indol-3-ylmethyl)-6-methyl-3,6-bis(methylthio)-2,5-piperazinedione
IUPAC Name: 3-(1H-indol-3-ylmethyl)-6-methyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
Structure
SMILES: CSC1(C)NC(=O)C(CC2=CNC3=CC=CC=C23)(SC)NC1=O
InChI: InChI=1S/C16H19N3O2S2/c1-15(22-2)13(20)19-16(23-3,14(21)18-15)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,17H,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKey: WZCXTZDWTILORX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Nectria inventa | Nectria | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 349.4810000000001
TPSA？: 73.99000000000001
MolLogP？: 2.0948999999999995
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|