Structure & Deep Data of Boc-DL-selenomethionine (C10H19NO4Se)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Boc-DL-selenomethionine molecule contains a total of 34 bond(s). There are 15 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of Boc-DL-selenomethionine are given below:

The 2D chemical structure image of Boc-DL-selenomethionine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Boc-DL-selenomethionine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Boc-DL-selenomethionine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Boc-DL-selenomethionine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Boc-DL-selenomethionine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Boc-DL-selenomethionine

  The SMILES string of Boc-DL-selenomethionine is C[Se]CCC(NC(=O)OC(C)(C)C)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Boc-DL-selenomethionine.

• Structure Data File (SDF/MOL File) of Boc-DL-selenomethionine

  The structure data file (SDF/MOL File) of Boc-DL-selenomethionine is available for download in the SDF page of Boc-DL-selenomethionine, which provides the information about the atoms, bonds, connectivity and coordinates of Boc-DL-selenomethionine. The Boc-DL-selenomethionine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Boc-DL-selenomethionine

  The molecular formula of Boc-DL-selenomethionine is available in chemical formula page of Boc-DL-selenomethionine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Boc-DL-selenomethionine

  The molecular weight of Boc-DL-selenomethionine is available in molecular weight page of Boc-DL-selenomethionine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Boc-DL-selenomethionine

  The Boc-DL-selenomethionine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Boc-DL-selenomethionine including the various registry numbers, if available:

  • 1219410-27-1
  • 2-[(tert-butoxycarbonyl)amino]-4-(methylselanyl)butanoic acid
  • 1396AD
  • C10H19NO4Se
  • Boc-DL-selenomethionine

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Boc-DL-selenomethionine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Boc-DL-selenomethionine?
C10H19NO4Se
How many atoms and what are the elements included the Boc-DL-selenomethionine molecule?
35 atom(s) - 19 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Boc-DL-selenomethionine structure?
34 bond(s) - 15 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s)
What’s the Boc-DL-selenomethionine’s molecular weight?
296.22216 g/mol
What’s the SMILES code of Boc-DL-selenomethionine?
C[Se]CCC(NC(=O)OC(C)(C)C)C(O)=O
What’s the InChI string of Boc-DL-selenomethionine?
InChI=1S/C10H19NO4Se/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
What’s the InChIKey code of Boc-DL-selenomethionine?
QJDWZRHRGRTJOH-UHFFFAOYSA-N

30 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).