2-Chloro-N-Fmoc-L-phenylalanine - ≥98%(HPLC) , CAS No.198560-41-7

CAS: 198560-41-7 Cat. No.: S135335 Peso molecular: 421.873 Número EC: 811-646-5 PubChem CID: 2761464

GRADE & PURITY ≥98%(HPLC)

Synonyms

Fmoc-Phe(2-Cl)-OH | Fmoc-2-chloro-L-phenylalanine | (2S)-3-(2-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid | (S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(2-CHLOROPHENYL)PROPANOIC ACID | N-FLUORENEMETHOXYCARBONYL-L-2-CHLORO PHE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Fmoc-Phe(2-Cl)-OH | Fmoc-2-chloro-L-phenylalanine | (2S)-3-(2-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid | (S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(2-CHLOROPHENYL)PROPANOIC ACID | N-FLUORENEMETHOXYCARBONYL-L-2-CHLORO PHE

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504761607
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761607
• Sonrisas canónicas: C1=CC=C(C(=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
• IUPAC Name: (2S)-3-(2-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: RNNKPNPLIMFSDY-QFIPXVFZSA-N
• INCHI: 1S/C24H20ClNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
• Isómeros SMILES: C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
• WGK Alemania: 3
• PubChem CID: 2761464
• Peso molecular: 421.873

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: Fluorenes Phenylpropanoic acids Amphetamines and derivatives Chlorobenzenes Aryl chlorides Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylalanine or derivatives - Fluorene - 3-phenylpropanoic-acid - Amphetamine or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic 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

Propiedades químicas y físicas

• Peso molecular: 421.900 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 421.108 Da
• Monoisotopic Mass: 421.108 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 592.000
• 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