Structure & Deep Data of BOC-GLU-OME (C11H19NO6)

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-GLU-OME molecule contains a total of 36 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 ester(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of BOC-GLU-OME are given below:

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

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Additional Information for Identifying BOC-GLU-OME Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of BOC-GLU-OME

  The SMILES string of BOC-GLU-OME is COC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the BOC-GLU-OME.

• Structure Data File (SDF/MOL File) of BOC-GLU-OME

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

• Chemical formula of BOC-GLU-OME

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

• Molecular weight of BOC-GLU-OME

  The molecular weight of BOC-GLU-OME is available in molecular weight page of BOC-GLU-OME, 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-GLU-OME

  The BOC-GLU-OME 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-GLU-OME including the various registry numbers, if available:

  • (2S)-2-[(tert-Butoxycarbonyl)amino]-5-methoxy-5-oxopentanoic acid; N-(tert-Butoxycarbonyl)glutamicacid a-methyl ester
  • (4S)-5-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid
  • (4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid
  • L-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1-methyl ester
  • (4S)-4-[(tert-butoxycarbonyl)amino]-5-methoxy-5-oxopentanoic acid
  • (4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoic acid
  • (S)-2-tert-butoxycarbonylamino-pentanedioic acid 1-methyl ester
  • N-(tert-Butoxycarbonyl)glutamic acid 1-methyl ester
  • A837419
  • W8083

  • MFCD00076931
  • Boc-L-glutamic acid a-methyl ester
  • (S)-4-((tert-Butoxy(hydroxy)methylene)amino)-5-methoxy-5-oxopentanoic acid
  • Boc-L-glutamic acid alpha-methyl ester
  • Boc-L-glutamic acid |A-methyl ester
  • (S)-4-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid
  • 72086-72-7
  • BOC-GLU-OME

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BOC-GLU-OME Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of BOC-GLU-OME?
C11H19NO6
How many atoms and what are the elements included the BOC-GLU-OME molecule?
37 atom(s) - 19 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the BOC-GLU-OME structure?
36 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 ester(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s)
What’s the BOC-GLU-OME’s molecular weight?
261.27166 g/mol
What’s the SMILES code of BOC-GLU-OME?
COC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C
What’s the InChI string of BOC-GLU-OME?
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(15)17-4)5-6-8(13)14/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14)/t7-/m0/s1
What’s the InChIKey code of BOC-GLU-OME?
ZAYAFKXUQMTLPL-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).