Record Information |
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Version | 2.0 |
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Created at | 2024-01-19 08:00:30 UTC |
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Updated at | 2024-09-03 04:19:00 UTC |
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NP-MRD ID | NP0332377 |
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Natural Product DOI | https://doi.org/10.57994/1594 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4F-Bacillamide A |
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Description | 4F-Bacillamide A belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. Based on a literature review very few articles have been published on 4F-Bacillamide A. |
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Structure | CC(=O)C1=NC(=CS1)C(=O)NCCC1=CNC2=C1C(F)=CC=C2 InChI=1S/C16H14FN3O2S/c1-9(21)16-20-13(8-23-16)15(22)18-6-5-10-7-19-12-4-2-3-11(17)14(10)12/h2-4,7-8,19H,5-6H2,1H3,(H,18,22) |
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Synonyms | Not Available |
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Chemical Formula | C16H14FN3O2S |
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Average Mass | 331.3700 Da |
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Monoisotopic Mass | 331.07908 Da |
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IUPAC Name | 2-acetyl-N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide |
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Traditional Name | 2-acetyl-N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)C1=NC(=CS1)C(=O)NCCC1=CNC2=C1C(F)=CC=C2 |
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InChI Identifier | InChI=1S/C16H14FN3O2S/c1-9(21)16-20-13(8-23-16)15(22)18-6-5-10-7-19-12-4-2-3-11(17)14(10)12/h2-4,7-8,19H,5-6H2,1H3,(H,18,22) |
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InChI Key | VHQBLFRLPPCGOZ-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental) | msaalim@tju.edu.cn | Not Available | Not Available | 2024-01-19 | View Spectrum | 1D NMR | 19F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental) | msaalim@tju.edu.cn | Not Available | Not Available | 2024-01-19 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Alpha amino acid amides |
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Alternative Parents | |
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Substituents | - Alpha-amino acid amide
- Indole or derivatives
- Indole
- Aryl alkyl ketone
- Aryl ketone
- Thiazolecarboxylic acid or derivatives
- Thiazolecarboxamide
- 2,4-disubstituted 1,3-thiazole
- Benzenoid
- Substituted pyrrole
- Heteroaromatic compound
- Thiazole
- Pyrrole
- Azole
- Ketone
- Imidothioester
- Carboxamide group
- Azacycle
- Fluoroalkene
- Haloalkene
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Sulfenyl compound
- Vinyl halide
- Vinyl fluoride
- Secondary amine
- Imidothioic acid or derivatives
- Secondary aliphatic amine
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organofluoride
- Organohalogen compound
- Amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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