Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 06:18:36 UTC |
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Updated at | 2022-09-07 06:18:36 UTC |
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NP-MRD ID | NP0245282 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-[(1-hydroxy-2-{2-[(1-hydroxyethylidene)amino]-n,3-dimethylpentanamido}-3-(4-hydroxyphenyl)propylidene)amino]-4-methylpentanoic acid |
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Description | 2-[(1-hydroxy-2-{2-[(1-hydroxyethylidene)amino]-n,3-dimethylpentanamido}-3-(4-hydroxyphenyl)propylidene)amino]-4-methylpentanoic acid is found in Simplicillium obclavatum. Based on a literature review very few articles have been published on 2-[(1-hydroxy-2-{2-[(1-hydroxyethylidene)amino]-N,3-dimethylpentanamido}-3-(4-hydroxyphenyl)propylidene)amino]-4-methylpentanoic acid. |
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Structure | CCC(C)C(N=C(C)O)C(=O)N(C)C(CC1=CC=C(O)C=C1)C(O)=NC(CC(C)C)C(O)=O InChI=1S/C24H37N3O6/c1-7-15(4)21(25-16(5)28)23(31)27(6)20(13-17-8-10-18(29)11-9-17)22(30)26-19(24(32)33)12-14(2)3/h8-11,14-15,19-21,29H,7,12-13H2,1-6H3,(H,25,28)(H,26,30)(H,32,33) |
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Synonyms | Value | Source |
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2-[(1-Hydroxy-2-{2-[(1-hydroxyethylidene)amino]-N,3-dimethylpentanamido}-3-(4-hydroxyphenyl)propylidene)amino]-4-methylpentanoate | Generator |
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Chemical Formula | C24H37N3O6 |
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Average Mass | 463.5750 Da |
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Monoisotopic Mass | 463.26824 Da |
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IUPAC Name | 2-[(1-hydroxy-2-{2-[(1-hydroxyethylidene)amino]-N,3-dimethylpentanamido}-3-(4-hydroxyphenyl)propylidene)amino]-4-methylpentanoic acid |
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Traditional Name | 2-[(1-hydroxy-2-{2-[(1-hydroxyethylidene)amino]-N,3-dimethylpentanamido}-3-(4-hydroxyphenyl)propylidene)amino]-4-methylpentanoic acid |
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CAS Registry Number | Not Available |
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SMILES | CCC(C)C(N=C(C)O)C(=O)N(C)C(CC1=CC=C(O)C=C1)C(O)=NC(CC(C)C)C(O)=O |
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InChI Identifier | InChI=1S/C24H37N3O6/c1-7-15(4)21(25-16(5)28)23(31)27(6)20(13-17-8-10-18(29)11-9-17)22(30)26-19(24(32)33)12-14(2)3/h8-11,14-15,19-21,29H,7,12-13H2,1-6H3,(H,25,28)(H,26,30)(H,32,33) |
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InChI Key | YHTMLXXWOFCLDF-UHFFFAOYSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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Classification | Not classified |
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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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