Aspergillipeptide C
AlkaPlorer ID: AK096913
Synonym: None
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-[(2R,3S,6S,9R,13S)-2,9,13-trimethyl-6-(2-methylpropyl)-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]prop-2-enamide
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@@H](N=C(O)/C=C/C2=CC=C(O)C(O)=C2)[C@@H](C)OC(=O)[C@@H](C)CN=C(O)[C@@H](C)N=C1O
InChI: InChI=1S/C26H36N4O8/c1-13(2)10-18-24(35)28-15(4)23(34)27-12-14(3)26(37)38-16(5)22(25(36)29-18)30-21(33)9-7-17-6-8-19(31)20(32)11-17/h6-9,11,13-16,18,22,31-32H,10,12H2,1-5H3,(H,27,34)(H,28,35)(H,29,36)(H,30,33)/b9-7+/t14-,15+,16+,18-,22-/m0/s1
InChIKey: PMCMQSNCIDXCCR-BLQOMBMGSA-N
Reference
New cyclic tetrapeptides and asteltoxins from gorgonian-derived fungus Aspergillus sp. SCSGAF 0076
PubChem CID: 71573985
LOTUS: LTS0082470
{NPAtlas: NPA018548
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. SCSGAF 0076 | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 532.5940000000003
TPSA？: 197.12
MolLogP？: 3.6902000000000017
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|