Hippuryl-L-phenylalanine - ≥98% , CAS No.744-59-2

CAS: 744-59-2 Cat. No.: S300517 Peso molecular: 326.34 PubChem CID: 6994977

GRADE & PURITY ≥98%

Synonyms

Hippuryl-Phe-OH (BZ-Gly-L-Phe-OH) | SCHEMBL828728 | A865888 | AS-68809 | MFCD00037265 | (2S)-2-[(2-benzamidoacetyl)amino]-3-phenylpropanoic acid | Bz-Gly-Phe-OH | HY-137840 | Benzoyl-Gly-Phe | Hippuryl-L-phenylalanine | (S)-2-(2-Benzamidoacetamido)-3-phen

Storage

Store at -20°C,Desiccated,Cool

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Hippuryl-Phe-OH (BZ-Gly-L-Phe-OH) | SCHEMBL828728 | A865888 | AS-68809 | MFCD00037265 | (2S)-2-[(2-benzamidoacetyl)amino]-3-phenylpropanoic acid | Bz-Gly-Phe-OH | HY-137840 | Benzoyl-Gly-Phe | Hippuryl-L-phenylalanine | (S)-2-(2-Benzamidoacetamido)-3-phen

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated, Cool

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2
• IUPAC Name: (2S)-2-[(2-benzamidoacetyl)amino]-3-phenylpropanoic acid
• InChIKey: CCLJGZGVIQBNDH-HNNXBMFYSA-N
• INCHI: 1S/C18H18N2O4/c21-16(12-19-17(22)14-9-5-2-6-10-14)20-15(18(23)24)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,22)(H,20,21)(H,23,24)/t15-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2
• PubChem CID: 6994977
• Peso molecular: 326.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Phenylalanine and derivatives N-acyl-L-alpha-amino acids Hippuric acids and derivatives Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Benzoyl derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - Phenylalanine or derivatives - Hippuric acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

Propiedades químicas y físicas

• Peso molecular: 326.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 326.127 Da
• Monoisotopic Mass: 326.127 Da
• Topological Polar Surface Area: 95.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 440.000
• 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