Didethiobis(methylthio)deacetylaranotin; Di-Ac
AlkaPlorer ID: AK295593
Synonym: Didethiobis(methylthio)acetylaranotin, Bisdethiobis(methylthio)acetylaranotin, LL-S 88β, A21101 I, Antibiotic LL-588β, Antibiotic A21101 I
IUPAC Name: [16-acetyloxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] acetate
Structure
SMILES: CSC12CC3=COC=CC(OC(C)=O)C3N1C(=O)C1(SC)CC3=COC=CC(OC(C)=O)C3N1C2=O
InChI: InChI=1S/C24H26N2O8S2/c1-13(27)33-17-5-7-31-11-15-9-23(35-3)22(30)26-20-16(12-32-8-6-18(20)34-14(2)28)10-24(26,36-4)21(29)25(23)19(15)17/h5-8,11-12,17-20H,9-10H2,1-4H3
InChIKey: MNIWVYZRLOFLBX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus terreus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Alternaria | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| None | Arachniotus | Gymnoascaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 534.6120000000003
TPSA？: 111.68
MolLogP？: 2.0394
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|