Structure & Deep Data of Z-Ile-Glu-Pro-Phe-Ome (C34H44N4O9)
Identification of Z-Ile-Glu-Pro-Phe-Ome Chemical Compound
Chemical Formula | C34H44N4O9 |
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Molecular Weight | 652.73456 g/mol |
IUPAC Name | (4S)-4-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanamido]-5-[(2S)-2-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid |
SMILES String | CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCC(O)=O)C(=O)N2CCCC2C(=O)NC(Cc3ccccc3)C(=O)OC |
InChI | InChI=1S/C34H44N4O9/c1-4-22(2)29(37-34(45)47-21-24-14-9-6-10-15-24)31(42)35-25(17-18-28(39)40)32(43)38-19-11-16-27(38)30(41)36-26(33(44)46-3)20-23-12-7-5-8-13-23/h5-10,12-15,22,25-27,29H,4,11,16-21H2,1-3H3,(H,35,42)(H,36,41)(H,37,45)(H,39,40)/t22-,25-,26-,27-,29-/m0/s1 |
InChIKey | NQFWNRFKRYMGAI-OXHJWIHTSA-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-Ile-Glu-Pro-Phe-Ome molecule contains a total of 93 bond(s). There are 49 non-H bond(s), 18 multiple bond(s), 18 rotatable bond(s), 6 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ester(s) (aliphatic), 2 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 Pyrrolidine(s). Images of the chemical structure of Z-Ile-Glu-Pro-Phe-Ome are given below:
The 2D chemical structure image of Z-Ile-Glu-Pro-Phe-Ome is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Z-Ile-Glu-Pro-Phe-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 Z-Ile-Glu-Pro-Phe-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 Z-Ile-Glu-Pro-Phe-Ome. 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-Ile-Glu-Pro-Phe-Ome is provided here.
The Z-Ile-Glu-Pro-Phe-Ome 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-Ile-Glu-Pro-Phe-Ome 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-Ile-Glu-Pro-Phe-Ome 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-Ile-Glu-Pro-Phe-Ome Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Z-Ile-Glu-Pro-Phe-Ome
The SMILES string of Z-Ile-Glu-Pro-Phe-Ome is CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCC(O)=O)C(=O)N2CCCC2C(=O)NC(Cc3ccccc3)C(=O)OC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Z-Ile-Glu-Pro-Phe-Ome.
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Structure Data File (SDF/MOL File) of Z-Ile-Glu-Pro-Phe-Ome
The structure data file (SDF/MOL File) of Z-Ile-Glu-Pro-Phe-Ome is available for download in the SDF page of Z-Ile-Glu-Pro-Phe-Ome, which provides the information about the atoms, bonds, connectivity and coordinates of Z-Ile-Glu-Pro-Phe-Ome. The Z-Ile-Glu-Pro-Phe-Ome structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Z-Ile-Glu-Pro-Phe-Ome
The molecular formula of Z-Ile-Glu-Pro-Phe-Ome is available in chemical formula page of Z-Ile-Glu-Pro-Phe-Ome, 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-Ile-Glu-Pro-Phe-Ome
The molecular weight of Z-Ile-Glu-Pro-Phe-Ome is available in molecular weight page of Z-Ile-Glu-Pro-Phe-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.
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Other names (synonyms) or registry numbers of Z-Ile-Glu-Pro-Phe-Ome
The Z-Ile-Glu-Pro-Phe-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 Z-Ile-Glu-Pro-Phe-Ome including the various registry numbers, if available:
- (S)-4-((2S,3S)-2-Benzyloxycarbonylamino-3-methyl-pentanoylamino)-5-[(S)-2-((S)-1-methoxycarbonyl-2-phenyl-ethylcarbamoyl)-pyrrolidin-1-yl]-5-oxo-pentanoic acid
- B4838
- BDBM50068918
- Z-Ile-Glu-Pro-Phe-Ome
Z-Ile-Glu-Pro-Phe-Ome Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Z-Ile-Glu-Pro-Phe-Ome? |
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C34H44N4O9 |
How many atoms and what are the elements included the Z-Ile-Glu-Pro-Phe-Ome molecule? |
91 atom(s) - 44 Hydrogen atom(s), 34 Carbon atom(s), 4 Nitrogen atom(s), and 9 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Z-Ile-Glu-Pro-Phe-Ome structure? |
93 bond(s) - 49 non-H bond(s), 18 multiple bond(s), 18 rotatable bond(s), 6 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ester(s) (aliphatic), 2 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 Pyrrolidine(s) |
What’s the Z-Ile-Glu-Pro-Phe-Ome’s molecular weight? |
652.73456 g/mol |
What’s the SMILES code of Z-Ile-Glu-Pro-Phe-Ome? |
CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCC(O)=O)C(=O)N2CCCC2C(=O)NC(Cc3ccccc3)C(=O)OC |
What’s the InChI string of Z-Ile-Glu-Pro-Phe-Ome? |
InChI=1S/C34H44N4O9/c1-4-22(2)29(37-34(45)47-21-24-14-9-6-10-15-24)31(42)35-25(17-18-28(39)40)32(43)38-19-11-16-27(38)30(41)36-26(33(44)46-3)20-23-12-7-5-8-13-23/h5-10,12-15,22,25-27,29H,4,11,16-21H2,1-3H3,(H,35,42)(H,36,41)(H,37,45)(H,39,40)/t22-,25-,26-,27-,29-/m0/s1 |
What’s the InChIKey code of Z-Ile-Glu-Pro-Phe-Ome? |
NQFWNRFKRYMGAI-OXHJWIHTSA-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).