Molecule

ID:126585

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₇N₅O₅
Molecular Mass
509.68188
Exact Mass
509.35771963
Charge
0
InChI
InChI=1S/C26H47N5O5/c1-13(2)10-18-23(33)29-19(11-14(3)4)24(34)30-20(12-15(5)6)25(35)31-21(16(7)8)26(36)27-17(9)22(32)28-18/h13-21H,10-12H2,1-9H3,(H,27,36)(H,28,32)(H,29,33)(H,30,34)(H,31,35)/t17-,18+,19+,20-,21+/m1/s1
InChIKey
IJSHLVSQYSNTII-IFLJBQAJSA-N
Canonic Smiles
CC(C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@H](NC1=O)CC(C)C)C(C)C)C
Isomeric Smiles
O=C1N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CC(C)C)CC(C)C)C)C(C)C)CC(C)C
Calculated Properties
JChem
Acid pKa
10.728734
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
1.9672284
LogD (pH = 7.4)
1.9670502
Log P
1.9672307
Molar Refractivity
136.5034
Polarizability
53.98284
Polar Surface Area
145.5
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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