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N-Carbobenzoxy-L-isoleucine - >98.0%(HPLC), high purity , CAS No.3160-59-6

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 3160-59-6
Molecular Weight: 265.31
Beilstein Registry Number: 4189490
MDL number: MFCD00027064
PubChem CID: 2724772
PubChem SID: 504760922

In stock

Item Number

N159605

Grouped product items
SKU	Size	Availability	Price
N159605-5g	5g	3	$29.90
N159605-10g	10g	3	$53.90
N159605-25g	25g	2	$95.90
N159605-100g	100g	1	$345.90

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Chemical Biology (1255) N-protected amino acids (344)

Basic Description

Synonyms	(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid \| HY-78897 \| Nalpha -Benzyloxycarbonyl-L-isoleucine \| Q-102759 \| SCHEMBL221435 \| UPCMLD00WV-81:002 \| AKOS015836889 \| N-[(Phenylmethoxy)carbonyl]-L-isoleucine \| N-alpha-Benzyloxycarbonyl-L-isole
Specifications & Purity	≥98%(HPLC)
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	Benzyloxycarbonyls Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Isoleucine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504760922
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760922
IUPAC Name	(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
INCHI	InChI=1S/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)/t10-,12-/m0/s1
InChIKey	JSHXJPFZKBRLFU-JQWIXIFHSA-N
Smiles	CCC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
WGK Germany	3
Molecular Weight	265.31
Beilstein	4189490
Reaxy-Rn	1128662
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1128662&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
J2318518	Certificate of Analysis	Sep 16, 2023	N159605
J2318523	Certificate of Analysis	Sep 16, 2023	N159605
J2318520	Certificate of Analysis	Sep 16, 2023	N159605
J2318521	Certificate of Analysis	Sep 16, 2023	N159605
J2318524	Certificate of Analysis	Sep 16, 2023	N159605
J2318522	Certificate of Analysis	Sep 16, 2023	N159605
J2318517	Certificate of Analysis	Sep 16, 2023	N159605
J2318519	Certificate of Analysis	Sep 16, 2023	N159605

Chemical and Physical Properties

Specific Rotation[α]	6.5° (C=6,EtOH)
Melt Point(°C)	52-54°C
Molecular Weight	265.300 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	265.131 Da
Monoisotopic Mass	265.131 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	300.000
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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