Molecule

ID:106510

General Information
Structure
MolImage
Molecular Formula
C₃₂H₄₆FN₅O₁₁
Molecular Mass
695.7329432
Exact Mass
695.31778554
Charge
0
InChI
InChI=1S/C32H46FN5O11/c1-17(2)26(30(44)34-19(5)28(42)35-21(23(39)15-33)13-24(40)47-6)37-29(43)22(14-25(41)48-7)36-31(45)27(18(3)4)38-32(46)49-16-20-11-9-8-10-12-20/h8-12,17-19,21-22,26-27H,13-16H2,1-7H3,(H,34,44)(H,35,42)(H,36,45)(H,37,43)(H,38,46)/t19-,21-,22-,26-,27-/m0/s1
InChIKey
ANTIWMNLIROOQF-IREHUOSBSA-N
Canonic Smiles
COC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)CF)CC(=O)OC)C)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1
Isomeric Smiles
COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(=O)CF
Calculated Properties
JChem
Acid pKa
11.385704
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
0.62444705
LogD (pH = 7.4)
0.62440777
Log P
0.6244475
Molar Refractivity
168.5283
Polarizability
66.56613
Polar Surface Area
224.4
Rotatable Bonds
22
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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