Formula of Ipamorelin (C38H49N9O5)
Identification of Ipamorelin Chemical Compound
| Chemical Formula | C38H49N9O5 |
|---|---|
| Molecular Weight | 711.85296 g/mol |
| IUPAC Name | (2S)-6-amino-2-[(2R)-2-[(2R)-2-[(2S)-2-(2-amino-2-methylpropanamido)-3-(1H-imidazol-5-yl)propanamido]-3-(naphthalen-2-yl)propanamido]-3-phenylpropanamido]hexanamide |
| SMILES String | CC(C)(N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc3ccc2ccccc2c3)C(=O)NC(Cc4ccccc4)C(=O)NC(CCCCN)C(N)=O |
| InChI | InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1 |
| InChIKey | NEHWBYHLYZGBNO-BVEPWEIPSA-N |
Chemical Formula Description
The Ipamorelin molecule contains a total of 101 atom(s). There are 49 Hydrogen atom(s), 38 Carbon atom(s), 9 Nitrogen atom(s), and 5 Oxygen atom(s). A chemical formula of Ipamorelin can therefore be written as:
C38H49N9O5
The chemical formula of Ipamorelin shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Ipamorelin Molecule
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Structure Data File (SDF/MOL File) of Ipamorelin
The structure data file (SDF/MOL File) of Ipamorelin is available for download in the SDF page of Ipamorelin providing the information about the atoms, bonds, connectivity and coordinates of Ipamorelin, which is not completely available in the chemical formula representation. The Ipamorelin structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Ipamorelin
The chemical structure image of Ipamorelin is available in chemical structure page of Ipamorelin, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Ipamorelin and the chemical bonds that hold the atoms together.
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Molecular weight of Ipamorelin
The molecular weight of Ipamorelin is available in molecular weight page of Ipamorelin, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Ipamorelin.
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InChI (IUPAC International Chemical Identifier) information of Ipamorelin
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Ipamorelin is:
InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1
It can provide a standard way to encode the molecular information of Ipamorelin 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 Ipamorelin is:
InChIKey=NEHWBYHLYZGBNO-BVEPWEIPSA-N
The InChIKey may allow easier web searches for Ipamorelin, but it needs to be linked to the full InChI to get back to the original structure of the Ipamorelin since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Ipamorelin
The Ipamorelin compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Ipamorelin including the registry numbers is given below, if available:
- L-Lysinamide,2-methylalanyl-L-histidyl-3-(2-naphthalenyl)-D-alanyl-D-phenylalanyl-
- 5020AF
- C38H49N9O5
- 170851-70-4
- Ipamorelin
Ipamorelin Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Ipamorelin? |
|---|
| C38H49N9O5 |
| How many atoms and what are they in the Ipamorelin structure? |
| 101 atom(s) - 49 Hydrogen atom(s), 38 Carbon atom(s), 9 Nitrogen atom(s), and 5 Oxygen atom(s) |
| How many chemical bonds and what are they in the Ipamorelin structure? |
| 104 bond(s) - 55 non-H bond(s), 27 multiple bond(s), 19 rotatable bond(s), 5 double bond(s), 22 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 primary amide(s) (aliphatic), 4 secondary amide(s) (aliphatic), 2 primary amine(s) (aliphatic), and 1 Imidazole(s) |
| What’s the molecular weight of Ipamorelin? |
| 711.85296 g/mol |
| What’s the SMILES string of Ipamorelin? |
| CC(C)(N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc3ccc2ccccc2c3)C(=O)NC(Cc4ccccc4)C(=O)NC(CCCCN)C(N)=O |
| What’s the InChI of Ipamorelin? |
| InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1 |
| What’s the InChIKey of Ipamorelin? |
| NEHWBYHLYZGBNO-BVEPWEIPSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).