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2480-23-1

2480-23-1 | L-Valine, N-methyl-

CAS No: 2480-23-1 Catalog No: AG002PHG MDL No:MFCD00754495

Product Description

Catalog Number:
AG002PHG
Chemical Name:
L-Valine, N-methyl-
CAS Number:
2480-23-1
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
MDL Number:
MFCD00754495
IUPAC Name:
(2S)-3-methyl-2-(methylamino)butanoic acid
InChI:
InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1
InChI Key:
AKCRVYNORCOYQT-YFKPBYRVSA-N
SMILES:
CN[C@H](C(=O)O)C(C)C
UNII:
8JVQ5G9K5V

Properties

Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
131.095g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
131.175g/mol
Monoisotopic Mass:
131.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  

Literature

Title Journal
Synthesis of chiral bis-oxazines: a preliminary assessment of helical conformational framework. Organic & biomolecular chemistry 20121121
Molecular dynamics simulations of forced unbending of integrin α(v)β₃. PLoS computational biology 20110201
In vitro and in vivo antitumor effects of novel actinomycin D analogs with amino acid substituted in the cyclic depsipeptides. Peptides 20100401
Hantupeptins B and C, cytotoxic cyclodepsipeptides from the marine cyanobacterium Lyngbya majuscula. Phytochemistry 20100201
LC/MS/MS Analysis of N-Terminal Protein Adducts with Improved Sensitivity: A Comparison of Selected Edman Isothiocyanate Reagents. International journal of analytical chemistry 20090101
Isolation and structure determination of malevamide E, a dolastatin 14 analogue, from the marine cyanobacterium Symploca laete-viridis. Journal of natural products 20080501
A concise synthesis of (S)-N-ethoxycarbonyl-alpha-methylvaline. The Journal of organic chemistry 20070914
N-Methylenvaline in a group of subjects occupationally exposed to formaldehyde. Toxicology letters 20060208
Two novel hexadepsipeptides with several modified amino acid residues isolated from the fungus Isaria. Chemistry & biodiversity 20040301
Dimethyl sulphate; a hidden problem in occupational medicine. Occupational and environmental medicine 20040101
Ethylation and methylation of hemoglobin in smokers and non-smokers. Carcinogenesis 20021101
Null association between frequency of cured meat consumption and methylvaline and ethylvaline hemoglobin adduct levels: the N-nitroso brain cancer hypothesis. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20020401
Re-evaluation of the effect of smoking on the methylation of N-terminal valine in haemoglobin. Archives of toxicology 20010701
Anti-leukemia selectivity in actinomycin analogues. Bioorganic & medicinal chemistry 20010301

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