Molecule

ID:134075

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₄N₆O₅
Molecular Mass
484.63266
Exact Mass
484.33731854
Charge
0
InChI
InChI=1S/C23H44N6O5/c1-14(2)11-17(19(31)27-16(13-30)9-8-10-26-21(24)25)28-20(32)18(12-15(3)4)29-22(33)34-23(5,6)7/h13-18H,8-12H2,1-7H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)
InChIKey
DBKWAMISRGINGJ-UHFFFAOYSA-N
Canonic Smiles
O=CC(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CC(C)C)CC(C)C)CCCNC(=N)N
Isomeric Smiles
CC(C)CC(C(=O)NC(CCCNC(=N)N)C=O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.489687
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-1.1357092
LogD (pH = 7.4)
-1.1327587
Log P
0.8969659
Molar Refractivity
139.8127
Polarizability
50.55575
Polar Surface Area
175.5
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation