Molecule

ID:133968

General Information
Structure
MolImage
Molecular Formula
C₃₄H₃₈N₆O₅
Molecular Mass
610.70272
Exact Mass
610.29036835
Charge
0
InChI
InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
InChIKey
ZEXLJFNSKAHNFH-SYKYGTKKSA-N
Canonic Smiles
Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)N
Isomeric Smiles
c1ccc(cc1)C[C@@H](C(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N
Calculated Properties
JChem
Acid pKa
9.510391
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-0.12443423
LogD (pH = 7.4)
1.5450934
Log P
1.9019808
Molar Refractivity
168.8252
Polarizability
66.733345
Polar Surface Area
183.64
Rotatable Bonds
12
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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