Terrelumamide A
AlkaPlorer ID: AK093723
Synonym: None
IUPAC Name: methyl 2-[[(2S,3R)-3-hydroxy-2-[(1-methyl-2,4-dioxopteridine-6-carbonyl)amino]butanoyl]amino]benzoate
Structure
SMILES: COC(=O)C1=CC=CC=C1N=C(O)[C@@H](N=C(O)C1=CN=C2C(=N1)C(O)=NC(=O)N2C)[C@@H](C)O
InChI: InChI=1S/C20H20N6O7/c1-9(27)13(17(29)23-11-7-5-4-6-10(11)19(31)33-3)24-16(28)12-8-21-15-14(22-12)18(30)25-20(32)26(15)2/h4-9,13,27H,1-3H3,(H,23,29)(H,24,28)(H,25,30,32)/t9-,13+/m1/s1
InChIKey: YVUJATOOBNWJDN-RNCFNFMXSA-N
Reference
Lumazine Peptides from the Marine-Derived Fungus Aspergillus terreus
PubChem CID: 139587886
LOTUS: LTS0232421
{NPAtlas: NPA017231
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus terreus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 456.4150000000002
TPSA？: 192.61
MolLogP？: 0.5578999999999996
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Sodium/potassium-transporting ATPase | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00351 |
| Staphylococcus aureus | Sortase A | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00351 |
| None | Unchecked | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00351 |