Molecule

ID:106568

General Information
Structure
MolImage
Molecular Formula
C₃₀H₃₄N₄O₇
Molecular Mass
562.61356
Exact Mass
562.24274945
Charge
0
InChI
InChI=1S/C30H34N4O7/c1-18(31-26(35)13-14-27(36)37)28(38)32-19(2)29(39)34-24(15-20-9-5-4-6-10-20)30(40)33-22-16-21-11-7-8-12-23(21)25(17-22)41-3/h4-12,16-19,24H,13-15H2,1-3H3,(H,31,35)(H,32,38)(H,33,40)(H,34,39)(H,36,37)/t18-,19-,24-/m0/s1
InChIKey
BTLLLOJDPGETFY-JXQFQVJHSA-N
Canonic Smiles
COc1cc(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)C)C)Cc2ccccc2)cc2c1cccc2
Isomeric Smiles
COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)cc2c1cccc2
Calculated Properties
JChem
Acid pKa
4.0904903
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
0.4915719
LogD (pH = 7.4)
-1.1905121
Log P
1.9143938
Molar Refractivity
151.23889
Polarizability
59.23839
Polar Surface Area
162.93
Rotatable Bonds
13
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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