N-[1-(S)-(+)-Ethoxycarbonyl-3-phenylpropyl]-L-alanyl carboxyanhydride - ≥98% , CAS No.84793-24-8

CAS: 84793-24-8 Cat. No.: N134041 Peso molecular: 305.33 Número EC: 430-360-8

GRADE & PURITY ≥98%

Synonyms

N-[1-(S)-(Ethoxycarbony1)-3-phenylpropyl]-L-alanine-N-carboxyanhydride | (S)-Ethyl 2-((S)-4-methyl-2,5-dioxooxazolidin-3-yl)-4-phenylbutanoate | AKOS016002988 | A840927 | BCP33396 | N-[1-(S)-(+)-Ethoxycarbonyl-3-phenylpropyl]-L-alanyl carboxyanhydride | A

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

N-[1-(S)-(Ethoxycarbony1)-3-phenylpropyl]-L-alanine-N-carboxyanhydride | (S)-Ethyl 2-((S)-4-methyl-2, 5-dioxooxazolidin-3-yl)-4-phenylbutanoate | AKOS016002988 | A840927 | BCP33396 | N-[1-(S)-(+)-Ethoxycarbonyl-3-phenylpropyl]-L-alanyl carboxyanhydride | A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

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: 488196436
• Sonrisas canónicas: CCOC(=O)C(CCC1=CC=CC=C1)N2C(C(=O)OC2=O)C
• IUPAC Name: ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate
• InChIKey: GFZFELCFSBCPDB-AAEUAGOBSA-N
• INCHI: 1S/C16H19NO5/c1-3-21-15(19)13(10-9-12-7-5-4-6-8-12)17-11(2)14(18)22-16(17)20/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1
• Isómeros SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)OC2=O)C
• WGK Alemania: 3
• Peso molecular: 305.33
• Reaxy-Rn: 40390885
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40390885&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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Fatty acid esters Oxazolidinones Dicarboxylic acids and derivatives Benzene and substituted derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Oxazolidinone - Benzenoid - Fatty acyl - Oxazolidine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Rotación específica [α]: 36° (C=1,CHCl3)
• Punto de ebullición (°C): 345 °C
• Punto de fusión (°C): 71 °C
• Peso molecular: 305.320 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 305.126 Da
• Monoisotopic Mass: 305.126 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 430.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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