Structure Database (LMSD)
Common Name
N-jasmonoyl-L-tyrosine
Systematic Name
N-({(1R,2R)-3-Oxo-2-[(2Z)-Pent-2-En-1-Yl]cyclopentyl}acetyl)-L-tyrosine
Synonyms
Main
Classification
String Representations
InChiKey (Click to copy)
SLWSWKGGZQCLDU-WHHQMRSUSA-N
InChi (Click to copy)
InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3-/t15-,17-,18+/m1/s1
SMILES (Click to copy)
C1(=O)[C@H](C/C=C\CC)[C@@H](CC(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CC1
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
2
Aromatic Rings
1
Rotatable Bonds
9
Van der Waals Molecular Volume
372.71
Topological Polar Surface Area
103.70
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
3.13
Molar Refractivity
101.78
Admin
Created at
25th Feb 2021
Updated at
25th Feb 2021