Structure & Deep Data of Z-Asp-OBzl (C19H19NO6)
Identification of Z-Asp-OBzl Chemical Compound
Chemical Formula | C19H19NO6 |
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Molecular Weight | 357.35726 g/mol |
IUPAC Name | (3S)-4-(benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid |
SMILES String | OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2 |
InChI | InChI=1S/C19H19NO6/c21-17(22)11-16(18(23)25-12-14-7-3-1-4-8-14)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,22)/t16-/m0/s1 |
InChIKey | UYOZWZKJQRBZRH-INIZCTEOSA-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-Asp-OBzl molecule contains a total of 46 bond(s). There are 27 non-H bond(s), 15 multiple bond(s), 10 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-membered ring(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 Z-Asp-OBzl are given below:
The 2D chemical structure image of Z-Asp-OBzl is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Z-Asp-OBzl 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-Asp-OBzl 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-Asp-OBzl. 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-Asp-OBzl is provided here.
The Z-Asp-OBzl 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-Asp-OBzl 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-Asp-OBzl 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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Additional Information for Identifying Z-Asp-OBzl Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Z-Asp-OBzl
The SMILES string of Z-Asp-OBzl is OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Z-Asp-OBzl.
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Structure Data File (SDF/MOL File) of Z-Asp-OBzl
The structure data file (SDF/MOL File) of Z-Asp-OBzl is available for download in the SDF page of Z-Asp-OBzl, which provides the information about the atoms, bonds, connectivity and coordinates of Z-Asp-OBzl. The Z-Asp-OBzl structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Z-Asp-OBzl
The molecular formula of Z-Asp-OBzl is available in chemical formula page of Z-Asp-OBzl, 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-Asp-OBzl
The molecular weight of Z-Asp-OBzl is available in molecular weight page of Z-Asp-OBzl, 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-Asp-OBzl
The Z-Asp-OBzl 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-Asp-OBzl including the various registry numbers, if available:
- (3S)-4-oxidanylidene-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butanoic acid
- 2-Benzyl-Oxycarbonylamino-Succinic Acid 1-Benzyl Ester
- N-(Benzyloxycarbonyl)-L-aspartic acid 1-benzyl ester
- A827341
- S-1586
- W6442
- 8282P
- Z-L-aspartic acid alpha-benzyl ester
- MFCD00038594
- (3S)-4-oxo-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butanoic acid
- Q-101787
- J-300062
- 1-Benzyl N-carbobenzyloxy-L-aspartate
- N-Carbobenzyloxy-L-aspartic acid 1-benzyl Ester
- 4779-31-1
- Z-Asp-OBzl
Z-Asp-OBzl Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Z-Asp-OBzl? |
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C19H19NO6 |
How many atoms and what are the elements included the Z-Asp-OBzl molecule? |
45 atom(s) - 19 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), and 6 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Z-Asp-OBzl structure? |
46 bond(s) - 27 non-H bond(s), 15 multiple bond(s), 10 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-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 Z-Asp-OBzl’s molecular weight? |
357.35726 g/mol |
What’s the SMILES code of Z-Asp-OBzl? |
OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2 |
What’s the InChI string of Z-Asp-OBzl? |
InChI=1S/C19H19NO6/c21-17(22)11-16(18(23)25-12-14-7-3-1-4-8-14)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,22)/t16-/m0/s1 |
What’s the InChIKey code of Z-Asp-OBzl? |
UYOZWZKJQRBZRH-INIZCTEOSA-N |
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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).