Z-Phe-ONp - ≥98% , CAS No.2578-84-9

CAS: 2578-84-9 Cat. No.: Z341221 Peso molecular: 420.41 PubChem CID: 151025

GRADE & PURITY ≥98%

Synonyms

N-Carbobenzoxy-L-phenylalanine p-nitrophenyl ester | SCHEMBL1715348 | (S)-4-nitrophenyl 2-(benzyloxycarbonylamino)-3-phenylpropanoate | 4-Nitrophenyl N-[(benzyloxy)(hydroxy)methylidene]phenylalaninate | N-benzyloxycarbonyl-L-phenylalanine p-nitrophenyl es

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N-Carbobenzoxy-L-phenylalanine p-nitrophenyl ester | SCHEMBL1715348 | (S)-4-nitrophenyl 2-(benzyloxycarbonylamino)-3-phenylpropanoate | 4-Nitrophenyl N-[(benzyloxy)(hydroxy)methylidene]phenylalaninate | N-benzyloxycarbonyl-L-phenylalanine p-nitrophenyl es

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 488188230
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188230
• Sonrisas canónicas: C1=CC=C(C=C1)CC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3
• IUPAC Name: (4-nitrophenyl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
• InChIKey: TVENQUPLPBPLGU-NRFANRHFSA-N
• INCHI: 1S/C23H20N2O6/c26-22(31-20-13-11-19(12-14-20)25(28)29)21(15-17-7-3-1-4-8-17)24-23(27)30-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,24,27)/t21-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3
• PubChem CID: 151025
• Peso molecular: 420.41

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 Phenylalanine 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: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid esters Phenol esters Amphetamines and derivatives Benzyloxycarbonyls Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Carbamate esters Carboxylic acid esters Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Benzyloxycarbonyl - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carbonic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Dichloromethane
• Punto de fusión (°C): 128° C
• Peso molecular: 420.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 420.132 Da
• Monoisotopic Mass: 420.132 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 587.000
• 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