Molecule

ID:103068

General Information
Structure
MolImage
Molecular Formula
C₃₄H₅₀N₈O₁₀
Molecular Mass
730.8084
Exact Mass
730.36498984
Charge
0
InChI
InChI=1S/C34H50N8O10/c1-7-18(2)28(42-33(50)52-34(4,5)6)31(49)40-23(12-13-26(44)45)29(47)38-17-25(43)41-30(48)22(9-8-14-37-32(35)36)39-20-10-11-21-19(3)15-27(46)51-24(21)16-20/h10-11,15-16,18,22-23,28,39H,7-9,12-14,17H2,1-6H3,(H,38,47)(H,40,49)(H,42,50)(H,44,45)(H4,35,36,37)(H,41,43,48)
InChIKey
PWOIMWXLMWHALO-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)NC(C(=O)NCC(=O)NC(=O)C(Nc1ccc2c(c1)oc(=O)cc2C)CCCNC(=N)N)CCC(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(=O)C(CCCNC(=N)N)Nc1ccc2c(C)cc(=O)oc2c1
Calculated Properties
JChem
Acid pKa
3.696038
H Acceptors
12
H Donor
9
LogD (pH = 5.5)
-1.3029995
LogD (pH = 7.4)
-1.2975073
Log P
-1.2975804
Molar Refractivity
198.6313
Polarizability
72.21682
Polar Surface Area
280.23
Rotatable Bonds
20
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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