Structure Database (LMSD)
Common Name
N-oleoyl tryptophan
Systematic Name
N-(9Z-octadecenoyl)-tryptophan
Synonyms
LM ID
LMFA08020096
Formula
Exact Mass
Calculate m/z
468.335193
Sum Composition
Status
Active
3D model of N-oleoyl tryptophan
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
XAKJNQLDKZLAKM-ZDQMOETHSA-N
InChi (Click to copy)
InChI=1S/C29H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)31-27(29(33)34)22-24-23-30-26-20-18-17-19-25(24)26/h9-10,17-20,23,27,30H,2-8,11-16,21-22H2,1H3,(H,31,32)(H,33,34)/b10-9-/t27-/m0/s1
SMILES (Click to copy)
C1NC2C=CC=CC=2C=1C[C@]([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
2
Aromatic Rings
2
Rotatable Bonds
19
Van der Waals Molecular Volume
493.63
Topological Polar Surface Area
82.19
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
7.45
Molar Refractivity
141.47
Admin
Created at
-
Updated at
19th Feb 2024