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Ac-Ile-OMe - 95%, high purity , CAS No.2256-76-0

COA

Grade & Purity:

≥95%

Cas Number: 2256-76-0
Molecular Weight: 187.24
PubChem CID: 7021425

In stock

Item Number

A192165

Grouped product items
SKU	Size	Availability	Price	Qty
A192165-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
A192165-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90

Basic Description

Synonyms	L-Isoleucine, N-acetyl-, methyl ester, erythro- \| Isoleucine, N-acetyl-, methyl ester, L- \| N-ACETYL-ISOLEUCINE METHYLESTER \| FD21824 \| (2S,3S)-Methyl 2-acetamido-3-methylpentanoate \| Q63409131 \| methyl (2S,3S)-2-acetamido-3-methylpentanoate \| N-alpha-Ace
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Isoleucine and derivatives

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
Direct Parent	Isoleucine and derivatives
Alternative Parents	N-acyl-alpha amino acids and derivatives Alpha amino acid esters Fatty acid esters Methyl esters Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isoleucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Fatty acid ester - Fatty acyl - Methyl ester - Acetamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl (2S,3S)-2-acetamido-3-methylpentanoate
INCHI	InChI=1S/C9H17NO3/c1-5-6(2)8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)/t6-,8-/m0/s1
InChIKey	JPQWQTHLAKUOOA-XPUUQOCRSA-N
Smiles	CCC(C)C(C(=O)OC)NC(=O)C
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C
Molecular Weight	187.24
Reaxy-Rn	4800464
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4800464&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Lot Number	Certificate Type	Date	Item
H2407316	Certificate of Analysis	Apr 19, 2024	A192165

Chemical and Physical Properties

Molecular Weight	187.240 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	187.121 Da
Monoisotopic Mass	187.121 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191.000
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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