N-(tert-Butoxycarbonyl)-L-leucine Monohydrate - ≥99% , CAS No.200936-87-4

CAS: 200936-87-4 Cat. No.: B105467 Peso molecular: 249.31 Número EC: 692-149-9

GRADE & PURITY ≥99%

Synonyms

MFCD00065582 | N-(tert-butoxycabonyl)-L-leucine monohydrate | C11H23NO5 | CCG-320697 | N-t-butoxycarbonyl-(L)-leucine mono-hydrate | N-Boc-L-leucine hydrate | t-butoxycarbonyl-l-leucine hydrate | AKOS015923284 | URQQEIOTRWJXBA-QRPNPIFTSA-N | A879843 | AC1

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Boc-Leu-OH (Boc-L-leucine) was used in the synthesis of a potent cytotoxin.

Specifications

Sinónimos

MFCD00065582 | N-(tert-butoxycabonyl)-L-leucine monohydrate | C11H23NO5 | CCG-320697 | N-t-butoxycarbonyl-(L)-leucine mono-hydrate | N-Boc-L-leucine hydrate | t-butoxycarbonyl-l-leucine hydrate | AKOS015923284 | URQQEIOTRWJXBA-QRPNPIFTSA-N | A879843 | AC1

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.O
• IUPAC Name: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
• InChIKey: URQQEIOTRWJXBA-QRPNPIFTSA-N
• INCHI: 1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m0./s1
• Isómeros SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C.O
• CAS alternativo: 13139-15-6
• Peso molecular: 249.31
• Reaxy-Rn: 45644289
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45644289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Leucine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Leucine and derivatives
• Alternative Parents: Methyl-branched fatty acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Leucine or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 85-88°C
• Peso molecular: 249.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 249.158 Da
• Monoisotopic Mass: 249.158 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 255.000
• 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

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