Molecule

ID:134016

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₂N₂O₅
Molecular Mass
392.48918
Exact Mass
392.23112213
Charge
0
InChI
InChI=1S/C21H32N2O5/c1-14(2)11-17(19(24)22-18(12-15(3)4)20(25)27-5)23-21(26)28-13-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3,(H,22,24)(H,23,26)/t17-,18-/m0/s1
InChIKey
FYKHRTVYUNLJLJ-ROUUACIJSA-N
Canonic Smiles
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
Isomeric Smiles
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
12.371829
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.701495
LogD (pH = 7.4)
3.7014909
Log P
3.701495
Molar Refractivity
105.591
Polarizability
41.84304
Polar Surface Area
93.73
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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