Structure & Deep Data of Z-LL-Nva-CHO and MG-115 (C25H39N3O5)
Identification of Z-LL-Nva-CHO and MG-115 Chemical Compound
| Chemical Formula | C25H39N3O5 |
|---|---|
| Molecular Weight | 461.59426 g/mol |
| IUPAC Name | benzyl N-[3-methyl-1-({3-methyl-1-[(1-oxopentan-2-yl)carbamoyl]butyl}carbamoyl)butyl]carbamate |
| SMILES String | CCCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C=O |
| InChI | InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32) |
| InChIKey | QEJRGURBLQWEOU-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Z-LL-Nva-CHO and MG-115 molecule contains a total of 72 bond(s). There are 33 non-H bond(s), 10 multiple bond(s), 15 rotatable bond(s), 4 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 secondary amide(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 aldehyde(s) (aliphatic). Images of the chemical structure of Z-LL-Nva-CHO and MG-115 are given below:
The 2D chemical structure image of Z-LL-Nva-CHO and MG-115 is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Z-LL-Nva-CHO and MG-115 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 Z-LL-Nva-CHO and MG-115 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 Z-LL-Nva-CHO and MG-115. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Z-LL-Nva-CHO and MG-115 is provided here.
The Z-LL-Nva-CHO and MG-115 molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Z-LL-Nva-CHO and MG-115 molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Z-LL-Nva-CHO and MG-115 can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Z-LL-Nva-CHO and MG-115 Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Z-LL-Nva-CHO and MG-115
The SMILES string of Z-LL-Nva-CHO and MG-115 is CCCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Z-LL-Nva-CHO and MG-115.
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Structure Data File (SDF/MOL File) of Z-LL-Nva-CHO and MG-115
The structure data file (SDF/MOL File) of Z-LL-Nva-CHO and MG-115 is available for download in the SDF page of Z-LL-Nva-CHO and MG-115, which provides the information about the atoms, bonds, connectivity and coordinates of Z-LL-Nva-CHO and MG-115. The Z-LL-Nva-CHO and MG-115 structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Z-LL-Nva-CHO and MG-115
The molecular formula of Z-LL-Nva-CHO and MG-115 is available in chemical formula page of Z-LL-Nva-CHO and MG-115, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Z-LL-Nva-CHO and MG-115
The molecular weight of Z-LL-Nva-CHO and MG-115 is available in molecular weight page of Z-LL-Nva-CHO and MG-115, 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.
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Other names (synonyms) or registry numbers of Z-LL-Nva-CHO and MG-115
The Z-LL-Nva-CHO and MG-115 compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Z-LL-Nva-CHO and MG-115 including the various registry numbers, if available:
- Z-LL-Nva-CHO and MG-115
Z-LL-Nva-CHO and MG-115 Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Z-LL-Nva-CHO and MG-115? |
|---|
| C25H39N3O5 |
| How many atoms and what are the elements included the Z-LL-Nva-CHO and MG-115 molecule? |
| 72 atom(s) - 39 Hydrogen atom(s), 25 Carbon atom(s), 3 Nitrogen atom(s), and 5 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Z-LL-Nva-CHO and MG-115 structure? |
| 72 bond(s) - 33 non-H bond(s), 10 multiple bond(s), 15 rotatable bond(s), 4 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 secondary amide(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 aldehyde(s) (aliphatic) |
| What’s the Z-LL-Nva-CHO and MG-115’s molecular weight? |
| 461.59426 g/mol |
| What’s the SMILES code of Z-LL-Nva-CHO and MG-115? |
| CCCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C=O |
| What’s the InChI string of Z-LL-Nva-CHO and MG-115? |
| InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32) |
| What’s the InChIKey code of Z-LL-Nva-CHO and MG-115? |
| QEJRGURBLQWEOU-UHFFFAOYSA-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).