Boc-S-(4-methoxybenzyl)-L-cysteine - ≥98% , CAS No.18942-46-6

CAS: 18942-46-6 Cat. No.: B116690 Peso molecular: 341.42 Número EC: 242-695-5

GRADE & PURITY ≥98%

Synonyms

AKOS015897538 | Boc-Cys(p-MeOBzl)-OH | Boc-Cys(pMeOBzl)-OH | (R)-2-t-butoxycarbonylamino-3-(4-methoxy-benzylsulfanyl)-propionic acid | Xylose (VAN) | L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]- | AS-49012 | n-(tert-butoxycarb

Storage

Room temperature

Shipped In

Normal

Descripción general

Boc-S-4-methoxybenzyl-L-cysteine is one of the cysteine derivatives commonly utilized in Boc SPPS. The 4-methoxybenzyl group is removed by HF or TFMSA during cleavage of the peptide from the resin. The cysteine sidechain is released as a free sulfhydryl group. Disulfide bonds can be formed later by a variety of oxidation methods.

Specifications

Sinónimos

AKOS015897538 | Boc-Cys(p-MeOBzl)-OH | Boc-Cys(pMeOBzl)-OH | (R)-2-t-butoxycarbonylamino-3-(4-methoxy-benzylsulfanyl)-propionic acid | Xylose (VAN) | L-Cysteine, N-[(1, 1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]- | AS-49012 | n-(tert-butoxycarb

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488186450
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186450
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)OC)C(=O)O
• IUPAC Name: (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: VRTXRNJMNFVTOM-ZDUSSCGKSA-N
• INCHI: 1S/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CSCC1=CC=C(C=C1)OC)C(=O)O
• Peso molecular: 341.42
• Reaxy-Rn: 13644539
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13644539&ln=

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
            • Level7 Cysteine 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 - Alpha amino acids and derivatives
• Direct Parent: Cysteine and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carbamate esters Organic carbonic acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cysteine or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Dialkylthioether - Sulfenyl compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 341.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 341.13 Da
• Monoisotopic Mass: 341.13 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 388.000
• 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