Cell Reactant:
BDBM36124
Syringe Reactant:
BDBM50043820
Meas. Tech.:
ITC
Entry Date.:
10/15/10
ΔG°:
-13.21±0.03 (kJ/mole)
pH:
6.9±0
Log10Kb:
0.3
Temperature:
298.15±0 (K)
ΔH° :
-19.7±0.2 (kJ/mole)
ΔS° :
-0.0218±0.0007 (kJ/mole-K)
Comments:
First trial
Citation
 Yamamura, HRekharsky, MVIshihara, YKawai, MInoue, Y Factors controlling the complex architecture of native and modified cyclodextrins with dipeptide (Z-Glu-Tyr) studied by microcalorimetry and NMR spectroscopy: critical effects of peripheral bis-trimethylamination and cavity size. J Am Chem Soc 126:14224-33 (2004) [PubMed]  Article
Cell React
Name:
BDBM36124
Synonyms:
AC-TMA2-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C48H86N2O33
Mol. Mass.:
1219.1889
SMILES:
C[N+](C)(C)C[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](C[N+](C)(C)C)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Structure:
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Syringe React
Name:
BDBM50043820
Synonyms:
(R)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic acid | CHEMBL291831 | N-acetyl-D-tyrosine
Type:
Small organic molecule
Emp. Form.:
C11H13NO4
Mol. Mass.:
223.2252
SMILES:
CC(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
Structure:
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