Structure & Deep Data of Boc-L-beta-Homoglutamine (C11H20N2O5)

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-L-beta-Homoglutamine molecule contains a total of 37 bond(s). There are 17 non-H bond(s), 3 multiple bond(s), 8 rotatable bond(s), 3 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amide(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of Boc-L-beta-Homoglutamine are given below:

The 2D chemical structure image of Boc-L-beta-Homoglutamine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Boc-L-beta-Homoglutamine 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-L-beta-Homoglutamine 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-L-beta-Homoglutamine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Boc-L-beta-Homoglutamine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Boc-L-beta-Homoglutamine

  The SMILES string of Boc-L-beta-Homoglutamine is CC(C)(C)OC(=O)NC(CCC(N)=O)CC(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-L-beta-Homoglutamine.

• Structure Data File (SDF/MOL File) of Boc-L-beta-Homoglutamine

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

• Chemical formula of Boc-L-beta-Homoglutamine

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

• Molecular weight of Boc-L-beta-Homoglutamine

  The molecular weight of Boc-L-beta-Homoglutamine is available in molecular weight page of Boc-L-beta-Homoglutamine, 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-L-beta-Homoglutamine

  The Boc-L-beta-Homoglutamine 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-L-beta-Homoglutamine including the various registry numbers, if available:

  • (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
  • K-7738
  • Boc-beta-Homogln-OH, >=98.0% (TLC)
  • (S)-3-(Boc-amino)adipic acid 6-amide
  • BL860-1
  • (3S)-6-Amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-6-oxo-hexanoic acid
  • MFCD01862848
  • N|A-Boc-L-|A-homoglutamine
  • Boc-|A-Homogln-OH
  • AmbotzBAA6160

  • Boc-beta-Homogln-OH
  • Boc-beta-HoGln-OH
  • Boc-(S)-3,6-Diamino-6-oxohexanoic acid
  • Boc-L-beta-HomoGln-OH
  • (S)-6-Amino-3-((tert-butoxycarbonyl)amino)-6-oxohexanoic acid
  • Boc-L-beta-Homoglutamine
  • 336182-06-0

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Boc-L-beta-Homoglutamine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Boc-L-beta-Homoglutamine?
C11H20N2O5
How many atoms and what are the elements included the Boc-L-beta-Homoglutamine molecule?
38 atom(s) - 20 Hydrogen atom(s), 11 Carbon atom(s), 2 Nitrogen atom(s), and 5 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Boc-L-beta-Homoglutamine structure?
37 bond(s) - 17 non-H bond(s), 3 multiple bond(s), 8 rotatable bond(s), 3 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amide(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s)
What’s the Boc-L-beta-Homoglutamine’s molecular weight?
260.2869 g/mol
What’s the SMILES code of Boc-L-beta-Homoglutamine?
CC(C)(C)OC(=O)NC(CCC(N)=O)CC(O)=O
What’s the InChI string of Boc-L-beta-Homoglutamine?
InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-7(6-9(15)16)4-5-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
What’s the InChIKey code of Boc-L-beta-Homoglutamine?
DAUHTFNYHSOVRQ-ZETCQYMHSA-N

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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).