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About This Item
Empirical Formula (Hill Notation):
C6H12N2O3
CAS Number:
Molecular Weight:
160.17
EC Number:
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
Assay
≥98% (TLC)
form
powder
color
white
mp
268-270 °C
storage temp.
−20°C
SMILES string
CC(N)C(=O)NC(C)C(O)=O
InChI
1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
InChI key
DEFJQIDDEAULHB-UHFFFAOYSA-N
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Storage Class Code
13 - Non Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Certificates of Analysis (COA)
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Shifei Xia et al.
Electrophoresis, 30(16), 2837-2844 (2009-08-06)
Enantiomer of chiral dipeptides were separated by CE-ESI-MS in a bare fused-silica capillary using (+)-(18-crown-6)-2,3,11,12-tetracarboxylic acid (18C6H4) as the chiral selector. As 18C6H4 is a kind of nonvolatile chiral selector, in order to prevent from 18C6H4 into the ion-source of
Ana Maria Castilla et al.
Beilstein journal of organic chemistry, 6, 5-5 (2010-05-21)
We present here the design, synthesis, and analysis of a series of receptors for peptide ligands inspired by the hydrogen-bonding pattern of protein β-sheets. The receptors themselves can be regarded as strands 1 and 3 of a three-stranded β-sheet, with
Shahab A Shamsi
Electrophoresis, 23(22-23), 4036-4051 (2002-12-14)
A review is presented to highlight several approaches for coupling capillary electrophoresis (CE) and electrospray ionization-mass spectrometry (ESI-MS) for analysis of chiral compounds. A short discussion of commercially available CE-MS instruments and interface design is followed by a detail review
Johnny Wu et al.
The Journal of chemical physics, 135(15), 155104-155104 (2011-10-28)
A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of
Andrew L Ferguson et al.
The Journal of chemical physics, 134(13), 135103-135103 (2011-04-12)
Nonlinear dimensionality reduction techniques can be applied to molecular simulation trajectories to systematically extract a small number of variables with which to parametrize the important dynamical motions of the system. For molecular systems exhibiting free energy barriers exceeding a few
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