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Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Methyl 2-[(5-methyl1,2-oxazole-3-carbonyl)amino]acetate

Methyl 2-[(5-methyl1,2-oxazole-3-carbonyl)amino]acetate bmse011649 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

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Molecular Formula: C8H10N2O4

Natural Isotopic Abundance Mass: 198.17599999999993

Mono-Isotopic Molecular Masses:

  • C12N14: 198.06405681
  • C13N14: 206.09089551400004
  • C12N15: 200.05812659600002
  • C13N15: 208.08496530000005

InChI string: InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)

IUPAC: methyl 2-[(5-methyl1,2-oxazole-3-carbonyl)amino]acetate

wwPDB CCD: K0Y

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)