General Characteristics
2D structure
NatID 1748
Common Name NatID_1748
Molecular Formula C19H18N2O5
Chemical Class Carboxylic acids and derivatives > Amino acids, peptides, and analogues
Molecular Weight 354.122 g/mol
Other names 71989-16-7

 

Representations
Smiles NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Inchi InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1
Inchi Key YUGBZNJSGOBFOV-INIZCTEOSA-N
3D Structure

 

Calculated Properties
clogP 1.85
TPSA 118.72
HBD 3
HBA 4
Rotatable Bonds 6
Aromatic Rings 2
Heavy Atoms 26
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
10472 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