Boc-Arg(NO₂)-OH - ≥99% , CAS No.2188-18-3

CAS: 2188-18-3 Cat. No.: B113238 Fórmula: C₁₁H₂₁N₅O₆ Peso molecular: 319.31 Beilstein Registry Number: 2015163 Número EC: 218-580-0 PubChem CID: 75141

GRADE & PURITY ≥99%

Synonyms

(2S)-5-((AMINO(IMINO)METHYL)AMINO)-2-(1-(TERT-BUTOXYCARBONYL)-2-OXIDO-2-OXOHYDRAZINO)PENTANOIC ACID | fluoro | L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]- | QKQ9PP5RVE | (2S)-2-(TERT-BUTOXYCARBONYLAMINO)-5-((N-NITROCARBAMI

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(2S)-5-((AMINO(IMINO)METHYL)AMINO)-2-(1-(TERT-BUTOXYCARBONYL)-2-OXIDO-2-OXOHYDRAZINO)PENTANOIC ACID | fluoro | L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]- | QKQ9PP5RVE | (2S)-2-(TERT-BUTOXYCARBONYLAMINO)-5-((N-NITROCARBAMI

Especificaciones y pureza

≥99%

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

≥99%

Nombres e identificadores

Pubchem Sid

504754913

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754913

Sonrisas canónicas

CC(C)(C)OC(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)O

IUPAC Name

(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

InChIKey

OZSSOVRIEPAIMP-ZETCQYMHSA-N

INCHI

1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1

Isómeros SMILES

CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O

WGK Alemania

1

PubChem CID

75141

Peso molecular

319.31

Beilstein

2015163

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Nitro fatty acids Nitroguanidines Branched fatty acids Nitramines Carbamate esters Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Nitro fatty acid - Nitroguanidine - Branched fatty acid - Fatty acyl - Fatty acid - Nitramine - Carbamic acid ester - Guanidine - Organic nitro compound - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organopnictogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 148 °C(dec.)
• Peso molecular: 319.310 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 319.149 Da
• Monoisotopic Mass: 319.149 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 439.000
• 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