Boc-Nle-OH.DCHA - ≥98.5% , CAS No.21947-32-0

CAS: 21947-32-0 Cat. No.: B117060 Fórmula: C₂₃H₄₄N₂O₄ Peso molecular: 412.61 Número CE: 244-673-0 PubChem CID: 53229901

GRADE & PURITY ≥98.5%

Synonyms

A878862 | DTXSID80944539 | N-((tert-bUtoxy)carbonyl)-L-norleucine, compound with dicyclohexylamine (1:1) | N-(tert-Butoxycarbonyl)-L-norleucine-N-cyclohexylcyclohexanamine (1:1) | N-alpha-t-Butyloxycarbonyl-L-norleucine dicyclohexylamine, (S)-N-alpha-Boc-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A878862 | DTXSID80944539 | N-((tert-bUtoxy)carbonyl)-L-norleucine, compound with dicyclohexylamine (1:1) | N-(tert-Butoxycarbonyl)-L-norleucine-N-cyclohexylcyclohexanamine (1:1) | N-alpha-t-Butyloxycarbonyl-L-norleucine dicyclohexylamine, (S)-N-alpha-Boc-

Especificações e pureza

≥98.5%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98.5%

Nomes e identificadores

Pubchem Sid

504771105

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771105

Sorrisos canónicos

CCCCC(C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2

IUPAC Name

N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

InChIKey

BFEVJIUEBDZIJQ-WDBKTSHHSA-N

INCHI

1S/C12H23N.C11H21NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h11-13H,1-10H2;8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t;8-/m.0/s1

SMILES isoméricas

CCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2

WGK Alemanha

3

PubChem CID

53229901

Peso molecular

412.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Medium-chain fatty acids Cyclohexylamines Branched fatty acids Amino fatty acids Carbamate esters Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Cyclohexylamine - Fatty acyl - Fatty acid - Carbamic acid ester - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propriedades químicas e físicas

• Peso molecular: 412.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 412.33 Da
• Monoisotopic Mass: 412.33 Da
• Topological Polar Surface Area: 87.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 361.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3