SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Ipamorelin is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Ipamorelin molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
Search Another SDF·MOL File
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Ipamorelin Molecule
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Chemical structure of Ipamorelin
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Ipamorelin
The chemical formula of Ipamorelin is given in chemical formula page of Ipamorelin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Ipamorelin
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of Ipamorelin including the registry numbers are listed 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 Ipamorelin formula? |
|---|
| C38H49N9O5 |
| How many atoms and what elements are included in the Ipamorelin molecule? |
| 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 kind of bonds are 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 Ipamorelin’s molar mass? |
| 711.85296 g/mol |
| What’s the SMILES structure 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 code 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 format 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
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).