Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 19:05:11 UTC |
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Updated at | 2022-04-28 19:05:11 UTC |
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NP-MRD ID | NP0073865 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Dysithiazolamide |
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Description | Dysithiazolamide belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Dysithiazolamide is found in Dysidea sp. It was first documented in 2008 (PMID: 18459798). Based on a literature review very few articles have been published on Dysithiazolamide. |
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Structure | CCC(=O)N[C@@H](C[C@H](C)C(Cl)Cl)C(=O)N(C)[C@@H](C[C@H](C)C(Cl)Cl)C1=NC=CS1 InChI=1S/C18H27Cl4N3O2S/c1-5-14(26)24-12(8-10(2)15(19)20)18(27)25(4)13(9-11(3)16(21)22)17-23-6-7-28-17/h6-7,10-13,15-16H,5,8-9H2,1-4H3,(H,24,26)/t10-,11-,12-,13-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C18H27Cl4N3O2S |
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Average Mass | 491.2900 Da |
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Monoisotopic Mass | 489.05781 Da |
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IUPAC Name | (2S,4S)-5,5-dichloro-N-[(1S,3S)-4,4-dichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]-N,4-dimethyl-2-propanamidopentanamide |
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Traditional Name | (2S,4S)-5,5-dichloro-N-[(1S,3S)-4,4-dichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]-N,4-dimethyl-2-propanamidopentanamide |
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CAS Registry Number | Not Available |
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SMILES | CCC(=O)N[C@@H](C[C@H](C)C(Cl)Cl)C(=O)N(C)[C@@H](C[C@H](C)C(Cl)Cl)C1=NC=CS1 |
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InChI Identifier | InChI=1S/C18H27Cl4N3O2S/c1-5-14(26)24-12(8-10(2)15(19)20)18(27)25(4)13(9-11(3)16(21)22)17-23-6-7-28-17/h6-7,10-13,15-16H,5,8-9H2,1-4H3,(H,24,26)/t10-,11-,12-,13-/m0/s1 |
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InChI Key | DSLOXTJYWDCVTO-CYDGBPFRSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
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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 | N-acyl-alpha amino acids and derivatives |
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Alternative Parents | |
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Substituents | - N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- N-acyl-amine
- Azole
- Heteroaromatic compound
- Thiazole
- Tertiary carboxylic acid amide
- Carboxamide group
- Secondary carboxylic acid amide
- Azacycle
- Organoheterocyclic compound
- Alkyl chloride
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Organic nitrogen compound
- Alkyl halide
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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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