General Characteristics
2D structure
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