Structure & Deep Data of Fmoc-Arg(Mts)-OH (C30H34N4O6S)
Identification of Fmoc-Arg(Mts)-OH Chemical Compound
Chemical Formula | C30H34N4O6S |
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Molecular Weight | 578.67916 g/mol |
IUPAC Name | (2S)-5-[(E)-[amino(2,4,6-trimethylbenzene)sulfonamidomethylidene]amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid |
SMILES String | Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(N)=NCCCC(NC(=O)OCC3c2ccccc2c4ccccc34)C(O)=O |
InChI | InChI=1S/C30H34N4O6S/c1-18-15-19(2)27(20(3)16-18)41(38,39)34-29(31)32-14-8-13-26(28(35)36)33-30(37)40-17-25-23-11-6-4-9-21(23)22-10-5-7-12-24(22)25/h4-7,9-12,15-16,25-26H,8,13-14,17H2,1-3H3,(H,33,37)(H,35,36)(H3,31,32,34)/t26-/m0/s1 |
InChIKey | JHMUQIZIPLJEHW-SANMLTNESA-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 Fmoc-Arg(Mts)-OH molecule contains a total of 78 bond(s). There are 44 non-H bond(s), 23 multiple bond(s), 12 rotatable bond(s), 5 double bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 2 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), 1 guanidine derivative(s), 1 primary amine(s) (aliphatic), 1 hydroxyl group(s), and 1 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of Fmoc-Arg(Mts)-OH are given below:
The 2D chemical structure image of Fmoc-Arg(Mts)-OH is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Fmoc-Arg(Mts)-OH 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 Fmoc-Arg(Mts)-OH 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 Fmoc-Arg(Mts)-OH. 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 Fmoc-Arg(Mts)-OH is provided here.
The Fmoc-Arg(Mts)-OH 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 Fmoc-Arg(Mts)-OH 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 Fmoc-Arg(Mts)-OH 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 Fmoc-Arg(Mts)-OH Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Fmoc-Arg(Mts)-OH
The SMILES string of Fmoc-Arg(Mts)-OH is Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(N)=NCCCC(NC(=O)OCC3c2ccccc2c4ccccc34)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Fmoc-Arg(Mts)-OH.
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Structure Data File (SDF/MOL File) of Fmoc-Arg(Mts)-OH
The structure data file (SDF/MOL File) of Fmoc-Arg(Mts)-OH is available for download in the SDF page of Fmoc-Arg(Mts)-OH, which provides the information about the atoms, bonds, connectivity and coordinates of Fmoc-Arg(Mts)-OH. The Fmoc-Arg(Mts)-OH structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Fmoc-Arg(Mts)-OH
The molecular formula of Fmoc-Arg(Mts)-OH is available in chemical formula page of Fmoc-Arg(Mts)-OH, 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 Fmoc-Arg(Mts)-OH
The molecular weight of Fmoc-Arg(Mts)-OH is available in molecular weight page of Fmoc-Arg(Mts)-OH, 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 Fmoc-Arg(Mts)-OH
The Fmoc-Arg(Mts)-OH compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Fmoc-Arg(Mts)-OH including the various registry numbers, if available:
- L-Ornithine,N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-[imino[[(2,4,6-trimethylphenyl)sulfonyl]amino]methyl]-
- L-Ornithine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-[imino[[(2,4,6-trimethylphenyl)sulfonyl]amino]methyl]-
- (2S)-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
- (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-[3-(2,4,6-trimethylbenzenesulfonyl)carbamimidamido]pentanoic acid
- (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-5-[(imino{[(2,4,6-trimethylphenyl) sulfonyl]amino}methyl)amino]pentanoic acid
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N-(2,4,6-trimethylphenyl)sulfonylcarbamimidoyl]amino]pentanoic acid
- n-alpha-(9-fluorenylmethoxycarbonyl)-n-omega-mesitylene sulfonyl-l-arginine
- n-alpha-fmoc-n-omega-(mesitylene-2-sulfonyl)-l-arginine
- N-Alpha-Fmoc-N-g-(mesitylene-2-sulfonyl)-L-arginine
- I14-19951
- n|A-fmoc-n|O-(mesitylene-2-sulfonyl)-l-arginine
- fmoc-n-omega-(mesitylene-2-sulfonyl)-l-arginine
- Fmoc-Arg(Mts)-OH, >=96.0% (HPLC)
- (2S)-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
- N-Fmoc-N'-(mesitylene-2-sulfonyl)-L-arginine
- 88743-97-9
- Fmoc-Arg(Mts)-OH
Fmoc-Arg(Mts)-OH Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Fmoc-Arg(Mts)-OH? |
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C30H34N4O6S |
How many atoms and what are the elements included the Fmoc-Arg(Mts)-OH molecule? |
75 atom(s) - 34 Hydrogen atom(s), 30 Carbon atom(s), 4 Nitrogen atom(s), 6 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the Fmoc-Arg(Mts)-OH structure? |
78 bond(s) - 44 non-H bond(s), 23 multiple bond(s), 12 rotatable bond(s), 5 double bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 2 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), 1 guanidine derivative(s), 1 primary amine(s) (aliphatic), 1 hydroxyl group(s), and 1 sulfonamide(s) (thio-/dithio-) |
What’s the Fmoc-Arg(Mts)-OH’s molecular weight? |
578.67916 g/mol |
What’s the SMILES code of Fmoc-Arg(Mts)-OH? |
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(N)=NCCCC(NC(=O)OCC3c2ccccc2c4ccccc34)C(O)=O |
What’s the InChI string of Fmoc-Arg(Mts)-OH? |
InChI=1S/C30H34N4O6S/c1-18-15-19(2)27(20(3)16-18)41(38,39)34-29(31)32-14-8-13-26(28(35)36)33-30(37)40-17-25-23-11-6-4-9-21(23)22-10-5-7-12-24(22)25/h4-7,9-12,15-16,25-26H,8,13-14,17H2,1-3H3,(H,33,37)(H,35,36)(H3,31,32,34)/t26-/m0/s1 |
What’s the InChIKey code of Fmoc-Arg(Mts)-OH? |
JHMUQIZIPLJEHW-SANMLTNESA-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).