(8S)-8-Carboxy-4-[(1,1-Dimethylethoxy)Carbonyl]-3-Imino-12,12-Dimethyl-10-Oxo-11-Oxa-2,4,9-Triazatridecanoic Acid 1-(1,1-Dimethylethyl) Ester - ≥96% , CAS No.97745-69-2

CAS: 97745-69-2 Cat. No.: N336895 Peso molecular: 474.56 Número EC: 802-262-9 PubChem CID: 11385959

GRADE & PURITY ≥96%

Synonyms

(S)-2-((tert-Butoxycarbonyl)amino)-5-((2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino)pentanoic acid | Boc-L-Arg(Boc)2-OH | Boc-Arg-(Boc)2-OH | BGOFOVHACSQSIE-ZDUSSCGKSA-N | (2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]met

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(S)-2-((tert-Butoxycarbonyl)amino)-5-((2, 2, 10, 10-tetramethyl-4, 8-dioxo-3, 9-dioxa-5, 7-diazaundecan-6-ylidene)amino)pentanoic acid | Boc-L-Arg(Boc)2-OH | Boc-Arg-(Boc)2-OH | BGOFOVHACSQSIE-ZDUSSCGKSA-N | (2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]met

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O
• IUPAC Name: (2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
• InChIKey: BGOFOVHACSQSIE-ZDUSSCGKSA-N
• INCHI: 1S/C21H38N4O8/c1-19(2,3)31-16(28)23-13(14(26)27)11-10-12-22-15(24-17(29)32-20(4,5)6)25-18(30)33-21(7,8)9/h13H,10-12H2,1-9H3,(H,23,28)(H,26,27)(H2,22,24,25,29,30)/t13-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O
• CAS alternativo: 108787-91-3； 885110-90-7
• PubChem CID: 11385959
• Peso molecular: 474.56

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: Branched fatty acids Carbamate esters Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Branched fatty acid - Fatty acid - Fatty acyl - Carbamic acid ester - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

• Punto de fusión (°C): 116-120° C
• Peso molecular: 474.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 474.269 Da
• Monoisotopic Mass: 474.269 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 698.000
• 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