N-(tert-Butoxycarbonyl)-L-aspartic Acid (Boc-Asp-OH) - ≥97%(HPLC) , CAS No.13726-67-5

CAS: 13726-67-5 Cat. No.: N159032 Peso molecular: 233.22 Número EC: 237-294-7

GRADE & PURITY ≥97%(HPLC)

Synonyms

CHEBI:191068 | tert-butyloxycarbonyl-L-aspartic acid | AM81588 | EINECS 237-294-7 | NSC 186910 | DTXSID301286262 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]- | N-Boc aspartic acid | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

CHEBI:191068 | tert-butyloxycarbonyl-L-aspartic acid | AM81588 | EINECS 237-294-7 | NSC 186910 | DTXSID301286262 | L-Aspartic acid, N-[(1, 1-dimethylethoxy)carbonyl]- | N-Boc aspartic acid | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid |

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504756448
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756448
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)O
• IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
• InChIKey: KAJBMCZQVSQJDE-YFKPBYRVSA-N
• INCHI: 1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O
• WGK Alemania: 3
• Peso molecular: 233.22
• Reaxy-Rn: 1913972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913972&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 Aspartic acid 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: Aspartic acid and derivatives
• Alternative Parents: Branched fatty acids Dicarboxylic acids and derivatives Carbamate esters Organic carbonic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Branched fatty acid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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

Objetivos asociados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Rotación específica [α]: -3.0 to -7.0 deg(C=1, MeOH)
• Punto de fusión (°C): 116-118°C
• Peso molecular: 233.220 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 233.09 Da
• Monoisotopic Mass: 233.09 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 293.000
• 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