methyl (2S)-2-(benzyloxycarbonylamino)-2-(4,4-difluorocyclohexyl)acetate - ≥97% , CAS No.1241377-40-1

CAS: 1241377-40-1 Cat. No.: M627669 Peso molecular: 341.35 PubChem CID: 59450007

GRADE & PURITY ≥97%

Synonyms

1241377-40-1 | methyl (2S)-2-(benzyloxycarbonylamino)-2-(4,4-difluorocyclohexyl)acetate | methyl(2S)-{[(benzyloxy)carbonyl]amino}(4,4-difluorocyclohexyl)ethanoate | SCHEMBL754130 | MFCD34596448 | AT30838 | METHYL (2S)-2-(((BENZYLOXY)CARBONYL)AMINO)-2-(4,4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1241377-40-1 | methyl (2S)-2-(benzyloxycarbonylamino)-2-(4, 4-difluorocyclohexyl)acetate | methyl(2S)-{[(benzyloxy)carbonyl]amino}(4, 4-difluorocyclohexyl)ethanoate | SCHEMBL754130 | MFCD34596448 | AT30838 | METHYL (2S)-2-(((BENZYLOXY)CARBONYL)AMINO)-2-(4, 4

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C(C1CCC(CC1)(F)F)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: methyl (2S)-2-(4,4-difluorocyclohexyl)-2-(phenylmethoxycarbonylamino)acetate
• InChIKey: ZBHHGSITIHZZFW-AWEZNQCLSA-N
• INCHI: 1S/C17H21F2NO4/c1-23-15(21)14(13-7-9-17(18,19)10-8-13)20-16(22)24-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,20,22)/t14-/m0/s1
• Isómeros SMILES: COC(=O)[C@H](C1CCC(CC1)(F)F)NC(=O)OCC2=CC=CC=C2
• PubChem CID: 59450007
• Peso molecular: 341.35

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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Benzyloxycarbonyls Cyclohexyl halides Methyl esters Carbamate esters Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzyloxycarbonyl - Cyclohexyl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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