(3S,6R,9R,14aS)-6,9-dimethyl-3-{6-[(2S)-oxiran-2-yl]-6-oxohexyl}-decahydropyrrolo[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone
AlkaPlorer ID: AK045150
Synonym: None
IUPAC Name: (3R,6R,9S,12S)-3,6-dimethyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Structure
SMILES: C[C@H]1N=C(O)[C@@H](C)N=C(O)[C@H](CCCCCC(=O)[C@@H]2CO2)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C21H32N4O6/c1-12-18(27)23-13(2)21(30)25-10-6-8-15(25)20(29)24-14(19(28)22-12)7-4-3-5-9-16(26)17-11-31-17/h12-15,17H,3-11H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)/t12-,13-,14+,15+,17+/m1/s1
InChIKey: WJKBTCSWQYZOOK-KDEOKCCVSA-N
Reference
Structure of HC-toxin, a cyclic tetrapeptide from helminthosporium carbonum
PubChem CID: 162977911
LOTUS: LTS0117862
SuperNatural Ⅲ: SN0411894-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bipolaris zeicola | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 436.5090000000002
TPSA？: 147.68
MolLogP？: 1.9245000000000008
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|