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Metabolic Enzyme/Protease
Aminopeptidase
N-Acetyl-β-Asp-Glu, CAS No.4910-46-7

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N-Acetyl-β-Asp-Glu, CAS No.4910-46-7

COA

Cas Number: 4910-46-7
Molecular Weight: 304.25
MDL number: MFCD00133559
PubChem CID: 210320

In stock

Item Number

N487117

Grouped product items
SKU	Size	Availability	Price	Qty
N487117-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$694.90

View related series

Amino Acid/Protein Metabolism (1836) Aminopeptidase (25) Class C GPCR (248) GPCR/G Protein (3172) Metabolic Enzyme/Protease (4860) mGluR (176) Neuronal Signaling (3320)

Basic Description

Synonyms	SCHEMBL1573913 \| N-(N-Acetyl-L-beta-aspartyl)-L-glutamic acid \| Tox21_110545 \| N-Acetyl-??-Asp-Glu \| AC-ASP(GLU-OH)-OH \| AKOS040747280 \| SPAGLUMIC ACID [WHO-DD] \| X81L78B3RB \| (2S)-2-[[(3S)-3-acetamido-3-carboxypropanoyl]amino]pentanedioic acid \| NCGC0018
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Peptidomimetics
    - Subclass Hybrid peptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Peptidomimetics
Subclass	Hybrid peptides
Intermediate Tree Nodes	Not available
Direct Parent	Hybrid peptides
Alternative Parents	Glutamic acid and derivatives Asparagine and derivatives N-acyl-L-alpha-amino acids Tricarboxylic acids and derivatives N-acyl amines Acetamides Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hybrid peptide - Glutamic acid or derivatives - Asparagine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
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

Associated Targets(Human)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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)-2-[[(3S)-3-acetamido-3-carboxypropanoyl]amino]pentanedioic acid
INCHI	InChI=1S/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1
InChIKey	GUCKKCMJTSNWCU-BQBZGAKWSA-N
Smiles	CC(=O)NC(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O
Isomeric SMILES	CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
WGK Germany	3
Molecular Weight	304.25
Reaxy-Rn	25850515
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25850515&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	304.250 g/mol
XLogP3	-2.100
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	304.091 Da
Monoisotopic Mass	304.091 Da
Topological Polar Surface Area	170.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	448.000
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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