General Characteristics
| NatID | 1749 |
| Common Name | NatID_1749 |
| Molecular Formula | C20H20N2O5 |
| Chemical Class | Carboxylic acids and derivatives > Amino acids, peptides, and analogues |
| Molecular Weight | 368.137 g/mol |
| Other names | 71989-20-3 |
Representations
| Smiles | NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O |
| Inchi | InChI=1S/C20H20N2O5/c21-18(23)10-9-17(19(24)25)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H2,21,23)(H,22,26)(H,24,25)/t17-/m0/s1 |
| Inchi Key | IZKGGDFLLNVXNZ-KRWDZBQOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.24 |
| TPSA | 118.72 |
| HBD | 3 |
| HBA | 4 |
| Rotatable Bonds | 7 |
| Aromatic Rings | 2 |
| Heavy Atoms | 27 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10473 | Boana pulchella | No | Low | Siano, A., Húmpola, M. V., de Oliveira, E., Albericio, F., Simonetta, A. C., Lajmanovich, R., & Tonarelli, G. G. (2014). Antimicrobial Peptides from Skin Secretions of Hypsiboas pulchellus (Anura: Hylidae). Journal of Natural Products, 77(4), 831–841. https://doi.org/10.1021/np4009317 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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