N-Benzoyl-L-leucine - ≥99% , CAS No.1466-83-7

CAS: 1466-83-7 Cat. No.: I167359 Peso molecular: 235.28 Beilstein Registry Number: 2055080

GRADE & PURITY ≥99%

Synonyms

AKOS010400584 | N-Benzoyl-L-leucine | benzoylleucine | N-Benzoyl-L-leucine, >=99.0% | BENZOYL-L-LEUCINE | HY-W142035 | L-Leucine, N-benzoyl- | POLGZPYHEPOBFG-NSHDSACASA-N | (S)-2-benzamido-4-methylpentanoic acid | DTXSID901316374 | Bz-Leu-OH | A1-34345 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS010400584 | N-Benzoyl-L-leucine | benzoylleucine | N-Benzoyl-L-leucine, >=99.0% | BENZOYL-L-LEUCINE | HY-W142035 | L-Leucine, N-benzoyl- | POLGZPYHEPOBFG-NSHDSACASA-N | (S)-2-benzamido-4-methylpentanoic acid | DTXSID901316374 | Bz-Leu-OH | A1-34345 |

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

• Pubchem Sid: 504760283
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760283
• Sonrisas canónicas: CC(C)CC(C(=O)O)NC(=O)C1=CC=CC=C1
• IUPAC Name: (2S)-2-benzamido-4-methylpentanoic acid
• InChIKey: POLGZPYHEPOBFG-NSHDSACASA-N
• INCHI: 1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1
• Isómeros SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 235.28
• Beilstein: 2055080
• Reaxy-Rn: 2055077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055077&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: N-acyl-alpha amino acids Hippuric acids Benzoyl derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Leucine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 235.280 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 235.121 Da
• Monoisotopic Mass: 235.121 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 270.000
• 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: 1