Bz-L-Phe-NH2 - ≥98% , CAS No.72150-35-7

CAS: 72150-35-7 Cat. No.: B356648 Summenformel: C₁₆H₁₆N₂O₂ Molekulargewicht: 268.31

GRADE & PURITY ≥98%

Synonyms

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]benzamide | N-alpha-Benzoyl-L-phenylalanine amide | Benzoyl-L-phenylalanine amide | Benzenepropanamide,a-(benzoylamino)-,(as)- | BZ-PHE-NH2 | Na -Benzoyl-L-phenylalanine amide | Bz-L-Phe-NH2 | (S)-N-(1-Amino-1-oxo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]benzamide | N-alpha-Benzoyl-L-phenylalanine amide | Benzoyl-L-phenylalanine amide | Benzenepropanamide,a-(benzoylamino)-,(as)- | BZ-PHE-NH2 | Na -Benzoyl-L-phenylalanine amide | Bz-L-Phe-NH2 | (S)-N-(1-Amino-1-oxo

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488195907

Kanonisches Lächeln

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=CC=CC=C2

IUPAC Name

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]benzamide

InChIKey

GDJKEUNPXYLPHG-AWEZNQCLSA-N

INCHI

1S/C16H16N2O2/c17-15(19)14(11-12-7-3-1-4-8-12)18-16(20)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,19)(H,18,20)/t14-/m0/s1

Isomere SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)C2=CC=CC=C2

Molekulargewicht

268.31

Reaxy-Rn

2943566

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2943566&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Amphetamines and derivatives Benzoyl derivatives Fatty amides Secondary carboxylic acid amides Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 268.310 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 268.121 Da
• Monoisotopic Mass: 268.121 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 331.000
• 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