Boc-met-onp - ≥97% , CAS No.2488-18-8

CAS: 2488-18-8 Cat. No.: B183128 Fórmula: C₁₆H₂₂N₂O₆S Peso molecular: 370.4

GRADE & PURITY ≥97%

Synonyms

SCHEMBL9046932 | N-alpha-t-Butyloxycarbonyl-L-methionine p-nitrophenyl ester (Boc-L-Met-ONp) | KSFQSYDCSRCMIR-ZDUSSCGKSA-N | DTXSID60427411 | MFCD00038123 | Boc-Met-ONp | L-Methionine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester | AKOS016003204

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL9046932 | N-alpha-t-Butyloxycarbonyl-L-methionine p-nitrophenyl ester (Boc-L-Met-ONp) | KSFQSYDCSRCMIR-ZDUSSCGKSA-N | DTXSID60427411 | MFCD00038123 | Boc-Met-ONp | L-Methionine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester | AKOS016003204

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

IUPAC Name

(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate

InChIKey

KSFQSYDCSRCMIR-ZDUSSCGKSA-N

INCHI

1S/C16H22N2O6S/c1-16(2,3)24-15(20)17-13(9-10-25-4)14(19)23-12-7-5-11(6-8-12)18(21)22/h5-8,13H,9-10H2,1-4H3,(H,17,20)/t13-/m0/s1

SMILES isoméricas

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Peso molecular

370.4

Reaxy-Rn

2571706

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2571706&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Methionine and derivatives
• Alternative Parents: Alpha amino acid esters Phenol esters Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Carbamate esters Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methionine or derivatives - Alpha-amino acid ester - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Carbamic acid ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine 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

Propriedades químicas e físicas

• Peso molecular: 370.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 370.12 Da
• Monoisotopic Mass: 370.12 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 466.000
• 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

Perguntas frequentes

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

The CAS Number is 2488-18-8, the molecular formula is C16H22N2O6S, and the molecular weight is 370.4 g/mol. InChIKey KSFQSYDCSRCMIR-ZDUSSCGKSA-N.