Cbz-​Valaciclovir , CAS No.124832-31-1

CAS: 124832-31-1 Cat. No.: C1448167 Molecular Weight: 458.47 EC Number: 603-016-1 PubChem CID: 135467921

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cbz-Valaciclovir (Benzyloxycarbonyl valacyclovir) can be used to prepare Valaciclovir and for antiviral research.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)NC(=O)OCC3=CC=CC=C3
• IUPAC Name: 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
• InChIKey: ZQSUAJRZJTUOEA-HNNXBMFYSA-N
• INCHI: 1S/C21H26N6O6/c1-13(2)15(24-21(30)33-10-14-6-4-3-5-7-14)19(29)32-9-8-31-12-27-11-23-16-17(27)25-20(22)26-18(16)28/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,24,30)(H3,22,25,26,28)/t15-/m0/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)NC(=O)OCC3=CC=CC=C3
• PubChem CID: 135467921
• Molecular Weight: 458.47

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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Valine and derivatives 6-oxopurines Hypoxanthines Benzyloxycarbonyls Pyrimidones Aminopyrimidines and derivatives Fatty acid esters N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Valine or derivatives - 6-oxopurine - Hypoxanthine - Benzyloxycarbonyl - Imidazopyrimidine - Purine - Aminopyrimidine - Fatty acid ester - Pyrimidone - Fatty acyl - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Carbamic acid ester - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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