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N-Acetyl-Ala-Ala-Ala , CAS No.19245-85-3

COA

Cas Number: 19245-85-3
Poids moléculaire: 273.29
PubChem CID: 5483957

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Item Number

N168239

Articles du produit groupé
SKU	Taille	Disponibilité	Prix	Qté
N168239-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	2 219,90$US

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Amino Acid/Protein Metabolism (1836)

Description générale

Synonymes	Acetyltrialanine \| 19245-85-3 \| N-Acetyl-Ala-Ala-Ala \| Ac-Ala-Ala-Ala-OH \| (S)-2-((S)-2-((S)-2-Acetamidopropanamido)propanamido)propanoic acid \| acetyl-L-alanyl-L-alanyl-L-alanine \| L-Alanine, N-acetyl-L-alanyl-L-alanyl- \| EINECS 242-912-3 \| L-Alanine,N-acetyl-L-alanyl-L
Température de stockage	Room temperature
Expédié en	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Classe Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Oligopeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Classe	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Oligopeptides
Alternative Parents	N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-oligopeptide - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
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

Noms et identifiants

IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoic acid
INCHI	InChI=1S/C11H19N3O5/c1-5(12-8(4)15)9(16)13-6(2)10(17)14-7(3)11(18)19/h5-7H,1-4H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/t5-,6-,7-/m0/s1
InChIKey	DRYOODAJROGPQO-ACZMJKKPSA-N
Smiles	CC(C(=O)NC(C)C(=O)NC(C)C(=O)O)NC(=O)C
Isomères SMILES	C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)C
Poids moléculaire	273.29
Reaxy-Rn	1992702
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1992702&ln=

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	273.290 g/mol
XLogP3	-1.200
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	273.132 Da
Monoisotopic Mass	273.132 Da
Topological Polar Surface Area	125.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	383.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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