Sch 52901
AlkaPlorer ID: AK322588
Synonym: None
IUPAC Name: (1S,2S,3S,11R,14R)-3-[(1S,2S,3S,11R,14S)-14-ethyl-2-hydroxy-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-2-hydroxy-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Structure
SMILES: CC[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1([C@@]45C6=CC=CC=C6N[C@@H]4N4C(=O)[C@@]6(C)SS[C@]4(C(=O)N6C)[C@H]5O)C4=CC=CC=C4N[C@@H]1N3C2=O
InChI: InChI=1S/C31H30N6O6S4/c1-5-27-23(41)37-21-29(15-11-7-9-13-17(15)33-21,19(39)31(37,47-45-27)25(43)35(27)4)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(3)24(42)30(36,18(28)38)46-44-26/h6-13,18-21,32-33,38-39H,5H2,1-4H3/t18-,19-,20+,21+,26+,27-,28+,29+,30-,31-/m0/s1
InChIKey: BNGCIRYZSMUYSN-IMKRRUOZSA-N
Reference
Nematicidal Epipolysulfanyldioxopiperazines from <i>Gliocladium </i><i>r</i><i>oseum</i>
PubChem CID: 44584291
LOTUS: LTS0042291
NPASS: NPC477180
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 710.8850000000001
TPSA？: 145.76000000000002
MolLogP？: 1.7208999999999997
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bursaphelenchus xylophilus | Bursaphelenchus xylophilus | ED50 | 400.0 | ug ml-1 | 10.1021/np0502241 |
| Caenorhabditis elegans | Caenorhabditis elegans | ED50 | 50.0 | ug ml-1 | 10.1021/np0502241 |
| Panagrellus redivivus | Panagrellus redivivus | ED50 | 80.0 | ug ml-1 | 10.1021/np0502241 |