Home Other Building Blocks Ac-ala-nhme

Ac-ala-nhme

CAS No.:
19701-83-8
Catalog Number:
AG00AKTP
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.1717
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG00AKTP
Chemical Name:
Ac-ala-nhme
CAS Number:
19701-83-8
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.1717
MDL Number:
MFCD00038238
IUPAC Name:
(2S)-2-acetamido-N-methylpropanamide
InChI:
InChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/t4-/m0/s1
InChI Key:
VHCVPWSUVMHJLL-BYPYZUCNSA-N
SMILES:
CNC(=O)[C@@H](NC(=O)C)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
144.09g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
144.174g/mol
Monoisotopic Mass:
144.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
A local-mode model for understanding the dependence of the extended amide III vibrations on protein secondary structure. The journal of physical chemistry. B 20100819
Conformational properties of the residues connected by ester and methylated amide bonds: theoretical and solid state conformational studies. Journal of peptide science : an official publication of the European Peptide Society 20100301
Unravelling the conformational dynamics of the aqueous alanine dipeptide with first-principle molecular dynamics. The journal of physical chemistry. B 20090730
Exploring the free energy landscape: from dynamics to networks and back. PLoS computational biology 20090601
Amide I bands of terminally blocked alanine in solutions investigated by infrared spectroscopy and density functional theory calculation: hydrogen-bonding interactions and solvent effects. The journal of physical chemistry. B 20090514
Characterizing aqueous solution conformations of a peptide backbone using Raman optical activity computations. Biophysical journal 20081215
The microwave spectrum of a two-top peptide mimetic: the N-acetyl alanine methyl ester molecule. The Journal of chemical physics 20060914
The Ramachandran plots of glycine and pre-proline. BMC structural biology 20050101
The respective N-hydroxypyrazole analogues of the classical glutamate receptor ligands ibotenic acid and (RS)-2-amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid. European journal of pharmacology 20040919
Temperature and pressure effects on conformational equilibria of alanine dipeptide in aqueous solution. Biopolymers 20040205
Quantum mechanics simulation of protein dynamics on long timescale. Proteins 20010901
Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N'-methyl amide conformational states. Physical review. E, Statistical, nonlinear, and soft matter physics 20010801
Synthesis, X-ray crystallographic structures of thio substituted N-acetyl N'-methylamide alanine and evaluation of sp sulfur parameters of the CFF91 force field. The journal of peptide research : official journal of the American Peptide Society 20010701
A new highly selective metabotropic excitatory amino acid agonist: 2-amino-4-(3-hydroxy-5-methylisoxazol-4-yl)butyric acid. Journal of medicinal chemistry 19960802
Properties