(3R,6R,9R,13R)-9-benzyl-3-[(2R)-butan-2-yl]-6-methyl-13-octyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
AlkaPlorer ID: AK257352
Synonym: None
IUPAC Name: (3R,6R,9R,13R)-9-benzyl-3-[(2R)-butan-2-yl]-6-methyl-13-octyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Structure
SMILES: CCCCCCCC[C@@H]1CC(O)=N[C@H](CC2=CC=CC=C2)C(O)=N[C@H](C)C(O)=N[C@H]([C@H](C)CC)C(=O)O1
InChI: InChI=1S/C29H45N3O5/c1-5-7-8-9-10-14-17-23-19-25(33)31-24(18-22-15-12-11-13-16-22)28(35)30-21(4)27(34)32-26(20(3)6-2)29(36)37-23/h11-13,15-16,20-21,23-24,26H,5-10,14,17-19H2,1-4H3,(H,30,35)(H,31,33)(H,32,34)/t20-,21-,23-,24-,26-/m1/s1
InChIKey: GGMZKYBWOCEFFP-SYOGCCDTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Beauveria tenella | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 515.6950000000003
TPSA?: 124.07
MolLogP?: 6.336500000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
