Molecule

ID:131040

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₆N₄O₅S
Molecular Mass
432.57794
Exact Mass
432.24064127
Charge
0
InChI
InChI=1S/C19H36N4O5S/c1-6-12(4)16(20)18(26)21-10-15(24)22-14(9-11(2)3)17(25)23-13(19(27)28)7-8-29-5/h11-14,16H,6-10,20H2,1-5H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)
InChIKey
WLDVPWVIEXLOPP-UHFFFAOYSA-N
Canonic Smiles
CSCCC(C(=O)O)NC(=O)C(NC(=O)CNC(=O)C(C(CC)C)N)CC(C)C
Isomeric Smiles
CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O)N
Calculated Properties
JChem
Acid pKa
3.7426274
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-1.786346
LogD (pH = 7.4)
-1.8388151
Log P
-1.7838275
Molar Refractivity
112.2545
Polarizability
44.525238
Polar Surface Area
150.62
Rotatable Bonds
14
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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