Molecule

ID:132775

General Information
Structure
MolImage
Molecular Formula
C₄₀H₅₃N₅O₁₀
Molecular Mass
763.87632
Exact Mass
763.37924292
Charge
0
InChI
InChI=1S/C40H53N5O10/c1-21(2)16-29(42-33(47)14-15-34(48)49)38(52)43-30(17-22(3)4)39(53)45-36(23(5)6)40(54)44-31(19-25-8-11-27(46)12-9-25)37(51)41-26-10-13-28-24(7)18-35(50)55-32(28)20-26/h8-13,18,20-23,29-31,36,46H,14-17,19H2,1-7H3,(H,41,51)(H,42,47)(H,43,52)(H,44,54)(H,45,53)(H,48,49)
InChIKey
UVFAEQZFLBGVRM-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(=O)NC(C(=O)NC(C(=O)Nc1ccc2c(c1)oc(=O)cc2C)Cc1ccc(cc1)O)C(C)C)NC(=O)C(NC(=O)CCC(=O)O)CC(C)C)C
Isomeric Smiles
Cc1cc(=O)oc2c1ccc(c2)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.326521
H Acceptors
9
H Donor
7
LogD (pH = 5.5)
2.547925
LogD (pH = 7.4)
0.80080056
Log P
3.7477279
Molar Refractivity
203.7192
Polarizability
78.57776
Polar Surface Area
229.33
Rotatable Bonds
19
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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