Z-Val-Tyr methyl ester - ≥98% , CAS No.15149-72-1

CAS: 15149-72-1 Cat. No.: V121382 Peso molecular: 428.48 PubChem CID: 12859615

GRADE & PURITY ≥98%

Synonyms

N-Carbobenzoxy-L-valyl-L-tyrosine methyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-Carbobenzoxy-L-valyl-L-tyrosine methyl ester

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Z-Val-Tyr methyl ester (N-CBZ-Val-Tyr-OMe) is an N-terminal and C-terminal blocked derivative of the antihypertensive dipeptide Val-Try (VY).

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767248
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767248
• Sonrisas canónicas: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
• InChIKey: SWPXBDJUGLEKES-PMACEKPBSA-N
• INCHI: 1S/C23H28N2O6/c1-15(2)20(25-23(29)31-14-17-7-5-4-6-8-17)21(27)24-19(22(28)30-3)13-16-9-11-18(26)12-10-16/h4-12,15,19-20,26H,13-14H2,1-3H3,(H,24,27)(H,25,29)/t19-,20-/m0/s1
• Isómeros SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2
• WGK Alemania: 3
• PubChem CID: 12859615
• Peso molecular: 428.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Valine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Benzyloxycarbonyls 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters N-acyl amines Methyl esters Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Monocyclic benzene moiety - Methyl ester - Carbamic acid ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: 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: Not available

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

Propiedades químicas y físicas

• Peso molecular: 428.500 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 428.195 Da
• Monoisotopic Mass: 428.195 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 583.000
• 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