Boc-His(Trt)-OH - ≥98% , CAS No.32926-43-5

CAS: 32926-43-5 Cat. No.: B116701 Summenformel: C₃₀H₃₁N₃O₄ Molekulargewicht: 497.58 Beilstein Registry Number: 732035 EG-Nummer: 685-644-6

GRADE & PURITY ≥98%

Synonyms

EN300-1589957 | MFCD00153307 | C9YH4KHR73 | DS-2286 | (S)-2-((tert-Butoxycarbonyl)amino)-3-(1-trityl-1H-imidazol-4-yl)propanoic acid | HY-W010788 | FD21670 | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoic acid | 2-((TERT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

EN300-1589957 | MFCD00153307 | C9YH4KHR73 | DS-2286 | (S)-2-((tert-Butoxycarbonyl)amino)-3-(1-trityl-1H-imidazol-4-yl)propanoic acid | HY-W010788 | FD21670 | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoic acid | 2-((TERT

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488198561

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198561

Kanonisches Lächeln

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

IUPAC Name

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoic acid

InChIKey

OYXZPXVCRAAKCM-SANMLTNESA-N

INCHI

1S/C30H31N3O4/c1-29(2,3)37-28(36)32-26(27(34)35)19-25-20-33(21-31-25)30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20-21,26H,19H2,1-3H3,(H,32,36)(H,34,35)/t26-/m0/s1

Isomere SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

WGK Deutschland

3

Molekulargewicht

497.58

Beilstein

732035

Reaxy-Rn

14219721

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14219721&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Histidine and derivatives Imidazolyl carboxylic acids and derivatives N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Histidine or derivatives - Alpha-amino acid or derivatives - Imidazolyl carboxylic acid derivative - Monocyclic benzene moiety - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 130°C
• Molekulargewicht: 497.600 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 497.231 Da
• Monoisotopic Mass: 497.231 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 703.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 32926-43-5, the molecular formula is C30H31N3O4, and the molecular weight is 497.58 g/mol. InChIKey OYXZPXVCRAAKCM-SANMLTNESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.