Molecule

ID:106020

General Information
Structure
MolImage
Molecular Formula
C₃₂H₅₀N₄O₈
Molecular Mass
618.7614
Exact Mass
618.36286458
Charge
0
InChI
InChI=1S/C32H50N4O8/c1-9-21(4)27(36-31(42)43-19-23-13-11-10-12-14-23)30(41)35-25(15-16-26(38)44-32(6,7)8)29(40)33-22(5)28(39)34-24(18-37)17-20(2)3/h10-14,18,20-22,24-25,27H,9,15-17,19H2,1-8H3,(H,33,40)(H,34,39)(H,35,41)(H,36,42)
InChIKey
TYFTWYMXUWCOOB-UHFFFAOYSA-N
Canonic Smiles
O=CC(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)OCc1ccccc1)CCC(=O)OC(C)(C)C)C)CC(C)C
Isomeric Smiles
CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C=O
Calculated Properties
JChem
Acid pKa
11.976891
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
3.248603
LogD (pH = 7.4)
3.248593
Log P
3.2486033
Molar Refractivity
163.7794
Polarizability
64.64175
Polar Surface Area
169.0
Rotatable Bonds
20
Lipinski's Rule of Five
false
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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