SDF/Mol File of Fmoc-d-asp-ome (C20H19NO6)
Identification of Fmoc-d-asp-ome Chemical Compound
Chemical Formula | C20H19NO6 |
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Molecular Weight | 369.36796 g/mol |
IUPAC Name | (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid |
SMILES String | COC(=O)C(CC(O)=O)NC(=O)OCC2c1ccccc1c3ccccc23 |
InChI | InChI=1S/C20H19NO6/c1-26-19(24)17(10-18(22)23)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,22,23)/t17-/m1/s1 |
InChIKey | UEUZUMRMWJUEMK-QGZVFWFLSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of fmoc-d-asp-ome is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of fmoc-d-asp-ome molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Fmoc-d-asp-ome Molecule
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Chemical structure of fmoc-d-asp-ome
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of fmoc-d-asp-ome is available in chemical structure page of fmoc-d-asp-ome, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of fmoc-d-asp-ome
The molecular weight of fmoc-d-asp-ome is available in molecular weight page of fmoc-d-asp-ome, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of fmoc-d-asp-ome
The chemical formula of fmoc-d-asp-ome is given in chemical formula page of fmoc-d-asp-ome, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of fmoc-d-asp-ome
An alternative way of expressing structural information in text format is InChI. The full standard InChI of fmoc-d-asp-ome is:
InChI=1S/C20H19NO6/c1-26-19(24)17(10-18(22)23)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,22,23)/t17-/m1/s1
It can provide a standard way to encode the molecular information of fmoc-d-asp-ome to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of fmoc-d-asp-ome is:
InChIKey=UEUZUMRMWJUEMK-QGZVFWFLSA-N
The InChIKey may allow easier web searches for fmoc-d-asp-ome, but it needs to be linked to the full InChI to get back to the original structure of the fmoc-d-asp-ome since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of fmoc-d-asp-ome
The fmoc-d-asp-ome compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of fmoc-d-asp-ome including the registry numbers are listed below, if available:
- (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid
- MFCD09842078
- J-300077
- 368443-82-7
- fmoc-d-asp-ome
Fmoc-d-asp-ome Identification Summary Frequently Asked Questions (FAQs)
What’s the fmoc-d-asp-ome formula? |
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C20H19NO6 |
How many atoms and what elements are included in the fmoc-d-asp-ome molecule? |
46 atom(s) - 19 Hydrogen atom(s), 20 Carbon atom(s), 1 Nitrogen atom(s), and 6 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the fmoc-d-asp-ome structure? |
48 bond(s) - 29 non-H bond(s), 15 multiple bond(s), 8 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ester(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s) |
What’s the fmoc-d-asp-ome’s molar mass? |
369.36796 g/mol |
What’s the SMILES structure of fmoc-d-asp-ome? |
COC(=O)C(CC(O)=O)NC(=O)OCC2c1ccccc1c3ccccc23 |
What’s the InChI code of fmoc-d-asp-ome? |
InChI=1S/C20H19NO6/c1-26-19(24)17(10-18(22)23)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,22,23)/t17-/m1/s1 |
What’s the InChIKey format of fmoc-d-asp-ome? |
UEUZUMRMWJUEMK-QGZVFWFLSA-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).