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Ac-Thr(t-Bu)-OH - 95%, high purity , CAS No.163277-80-3
Basic Description
Synonyms
L-Threonine, N-acetyl-O-(1,1-dimethylethyl)- | AKOS015999019 | AC-THR(TBU)-OH | AKOS015910118 | EN300-2291215 | N-Acetyl-O-tert-butyl-L-threonine | (2S,3R)-2-acetamido-3-[(2-methylpropan-2-yl)oxy]butanoic Acid | C73147 | L-Threonine,N-acetyl-O-(1,1-dimeth
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent
N-acyl-L-alpha-amino acids
Alternative Parents
Branched fatty acids Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
N-acyl-l-alpha-amino acid - Branched fatty acid - Fatty acid - Fatty acyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2S,3R)-2-acetamido-3-[(2-methylpropan-2-yl)oxy]butanoic acid
INCHI
InChI=1S/C10H19NO4/c1-6(15-10(3,4)5)8(9(13)14)11-7(2)12/h6,8H,1-5H3,(H,11,12)(H,13,14)/t6-,8+/m1/s1
InChIKey
JTQQJUFULLOMEJ-SVRRBLITSA-N
Smiles
CC(C(C(=O)O)NC(=O)C)OC(C)(C)C
Isomeric SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)C)OC(C)(C)C
PubChem CID
7019614
Molecular Weight
217.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
217.260 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
217.131 Da
Monoisotopic Mass
217.131 Da
Topological Polar Surface Area
75.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
244.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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