Trichocyclodipeptide A
AlkaPlorer ID: AK108754
Synonym: None
IUPAC Name: [5-[3-[(2S,5S)-5-[3-[(5-acetyloxy-3-methylpent-2-enoyl)amino]propyl]-3,6-dioxopiperazin-2-yl]propylamino]-3-methyl-5-oxopent-3-enyl] acetate
Structure
SMILES: CC(=O)OCCC(C)=CC(O)=NCCC[C@@H]1N=C(O)[C@H](CCCN=C(O)C=C(C)CCOC(C)=O)N=C1O
InChI: InChI=1S/C26H40N4O8/c1-17(9-13-37-19(3)31)15-23(33)27-11-5-7-21-25(35)30-22(26(36)29-21)8-6-12-28-24(34)16-18(2)10-14-38-20(4)32/h15-16,21-22H,5-14H2,1-4H3,(H,27,33)(H,28,34)(H,29,36)(H,30,35)/t21-,22-/m0/s1
InChIKey: QJNXRLUGOHRMKA-VXKWHMMOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stagonospora trichophoricola | Stagonospora | Massarinaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 536.6260000000004
TPSA？: 182.96
MolLogP？: 3.922600000000002
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|