Boc-Glu-OMe - ≥98% , CAS No.72086-72-7

CAS: 72086-72-7 Cat. No.: B186233 分子式: C₁₁H₁₉NO₆ 分子量: 261.27 EC番号: 873-236-2

GRADE & PURITY ≥98%

Synonyms

(4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoic acid | BocNH-Glu-OMe | MFCD00076931 | (S)-4-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoicacid | AKOS030240852 | (S)-4-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid | N-(tert-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

(4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoic acid | BocNH-Glu-OMe | MFCD00076931 | (S)-4-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoicacid | AKOS030240852 | (S)-4-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid | N-(tert-

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

528766062

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528766062

カノニカル・スマイル

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)OC

IUPAC Name

(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

InChIKey

ZAYAFKXUQMTLPL-ZETCQYMHSA-N

INCHI

1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(15)17-4)5-6-8(13)14/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14)/t7-/m0/s1

異性体SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OC

分子量

261.27

Reaxy-Rn

2132252

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2132252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Branched fatty acids Dicarboxylic acids and derivatives Methyl esters Carbamate esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - Branched fatty acid - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic 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

化学的性質と物理的性質

• 分子量: 261.269 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 261.121 Da
• Monoisotopic Mass: 261.121 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 320.000
• 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