BMRB

Biological Magnetic Resonance Data Bank


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

(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione bmse012120 - Data

(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione synonyms

Wikipedia:

Graphical representations:

(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

View large 3D structure

Molecular Formula: C10H10N2O2

Natural Isotopic Abundance Mass: 190.1986

Mono-Isotopic Molecular Masses:

  • C12N14: 190.07422757
  • C13N14: 200.10777595000005
  • C12N15: 192.06829735600002
  • C13N15: 202.10184573600006

InChI string: InChI=1S/C10H10N2O2/c1-6-9(13)12-8-5-3-2-4-7(8)10(14)11-6/h2-6H,1H3,(H,11,14)(H,12,13)/t6-/m0/s1

EU-OPENSCREEN: EOS102845

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)