Molecule

ID:38751

General Information
Structure
MolImage
Molecular Formula
C₂₇H₂₄N₂O₇
Molecular Mass
488.48866
Exact Mass
488.15835112
Charge
0
InChI
InChI=1S/C27H24N2O7/c30-24(31)14-13-23(26(33)34)29-25(32)16-9-11-17(12-10-16)28-27(35)36-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13-15H2,(H,28,35)(H,29,32)(H,30,31)(H,33,34)/t23-/m0/s1
InChIKey
SAPOQDCTFJVYAO-QHCPKHFHSA-N
Canonic Smiles
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1(ccc(cc1)NC(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.177065
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-0.057966884
LogD (pH = 7.4)
-2.8767536
Log P
3.7840512
Molar Refractivity
130.901
Polarizability
50.624947
Polar Surface Area
142.03
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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