Boc-cys(et)-oh - ≥95% , CAS No.16947-82-3

CAS: 16947-82-3 Cat. No.: B182000 분자식: C₁₀H₁₉NO₄S 분자량: 249.3 EC 번호: 681-419-1

GRADE & PURITY ≥95%

Synonyms

N-Boc-S-Ethyl-L-cysteine | SCHEMBL3068819 | S-ethyl-N-t-butyloxycarbonyl-L-cysteine | N-(tert-butoxycarbonyl)-S-ethyl-L-cysteine (Boc-L-Cys(Et)-OH) | EN300-6730565 | (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(ethylsulfanyl)propanoic acid | FD21312 | MFCD000

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

N-Boc-S-Ethyl-L-cysteine | SCHEMBL3068819 | S-ethyl-N-t-butyloxycarbonyl-L-cysteine | N-(tert-butoxycarbonyl)-S-ethyl-L-cysteine (Boc-L-Cys(Et)-OH) | EN300-6730565 | (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(ethylsulfanyl)propanoic acid | FD21312 | MFCD000

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• 정식 스마일: CCSCC(C(=O)O)NC(=O)OC(C)(C)C
• IUPAC Name: (2R)-3-ethylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: IBCCMMVPGKVLAX-ZETCQYMHSA-N
• INCHI: 1S/C10H19NO4S/c1-5-16-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
• 이성체 SMILES: CCSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
• 분자량: 249.3
• Reaxy-Rn: 37625041
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37625041&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Cysteine and derivatives

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

화학 및 물리적 특성

• 분자량: 249.330 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 249.103 Da
• Monoisotopic Mass: 249.103 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 250.000
• 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