Molecule

ID:133803

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂N₄O₇
Molecular Mass
476.52278
Exact Mass
476.22709938
Charge
0
InChI
InChI=1S/C23H32N4O7/c1-14(2)12-17(26-19(28)9-8-16-6-5-11-34-16)21(30)24-13-20(29)27-10-4-7-18(27)22(31)25-15(3)23(32)33/h5-6,8-9,11,14-15,17-18H,4,7,10,12-13H2,1-3H3,(H,24,30)(H,25,31)(H,26,28)(H,32,33)/b9-8+/t15-,17-,18-/m0/s1
InChIKey
ZLFQNOJSYZSINX-PVJKAEHXSA-N
Canonic Smiles
CC(C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C)NC(=O)/C=C/c1ccco1)C
Isomeric Smiles
C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccco1
Calculated Properties
JChem
Acid pKa
3.8029933
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-1.6916479
LogD (pH = 7.4)
-3.253028
Log P
0.008268407
Molar Refractivity
121.5092
Polarizability
46.79571
Polar Surface Area
158.05
Rotatable Bonds
11
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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