H-ASP-PHE-OH - ≥98% , CAS No.13433-09-5

CAS: 13433-09-5 Cat. No.: H302429 Formula: C₁₃H₁₆N₂O₅ Peso molecolare: 280.28

GRADE & PURITY ≥98%

Synonyms

H-ASP-PHE-OH | EB 1089 | Demethylaspartame | N-L-aspartyl-L-PhenylAlanine | ASP-PHE | SCHEMBL135366 | Iso-D-glutamine | L-Aspartyl-L-phenylalanine; Aspartame Imp. B (EP); Aspartame Impurity B | Aspartylphenylalanine | Aspartyl-phenylalanine | MFCD00063155

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

H-ASP-PHE-OH | EB 1089 | Demethylaspartame | N-L-aspartyl-L-PhenylAlanine | ASP-PHE | SCHEMBL135366 | Iso-D-glutamine | L-Aspartyl-L-phenylalanine; Aspartame Imp. B (EP); Aspartame Impurity B | Aspartylphenylalanine | Aspartyl-phenylalanine | MFCD00063155

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504756168

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756168

Sorrisi canonici

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N

IUPAC Name

(3S)-3-amino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid

InChIKey

YZQCXOFQZKCETR-UWVGGRQHSA-N

INCHI

1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1

Isomeri SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N

Peso molecolare

280.28

Reaxy-Rn

13557328

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13557328&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Phenylalanine and derivatives N-acyl-alpha amino acids Phenylpropanoic acids Beta amino acids and derivatives Amphetamines and derivatives Dicarboxylic acids and derivatives Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha peptide - Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Beta amino acid or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Amino acid or derivatives - Amino acid - Carboximidic acid derivative - Carboxylic acid - Carboximidic acid - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• External Descriptors: dipeptide

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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Rotazione specifica [α]: 9.5 - 15.5°（c = 1 in 0.5 M HCl）
• Punto di fusione (°C): 236-239 °C(lit.)
• Peso molecolare: 280.280 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 280.106 Da
• Monoisotopic Mass: 280.106 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 366.000
• 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