Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 05:48:25 UTC |
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Updated at | 2021-07-15 17:33:29 UTC |
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NP-MRD ID | NP0020373 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | FR-900490 |
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Provided By | NPAtlas |
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Description | FR-900490 is found in Discosia and Discosia sp. F-11809. It was first documented in 1988 (PMID: 3141334). Based on a literature review very few articles have been published on (3R)-2-{[(2S)-2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}butanoic acid. |
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Structure | [H]OC(=O)[C@@]([H])(N([H])[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C(=O)O[H])C([H])([H])C1=C([H])N=C([H])N1[H] InChI=1S/C14H22N6O6/c1-6(19-9(13(23)24)2-7-4-17-5-18-7)11(14(25)26)20-12(22)8(15)3-10(16)21/h4-6,8-9,11,19H,2-3,15H2,1H3,(H2,16,21)(H,17,18)(H,20,22)(H,23,24)(H,25,26)/t6-,8+,9+,11+/m1/s1 |
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Synonyms | Value | Source |
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(3R)-2-{[(2S)-2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}butanoate | Generator |
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Chemical Formula | C14H22N6O6 |
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Average Mass | 370.3660 Da |
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Monoisotopic Mass | 370.16008 Da |
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IUPAC Name | (2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}butanoic acid |
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Traditional Name | (2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-(3H-imidazol-4-yl)ethyl]amino}butanoic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H](N[C@@H](CC1=CN=CN1)C(O)=O)C(NC(=O)[C@@H](N)CC(N)=O)C(O)=O |
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InChI Identifier | InChI=1S/C14H22N6O6/c1-6(19-9(13(23)24)2-7-4-17-5-18-7)11(14(25)26)20-12(22)8(15)3-10(16)21/h4-6,8-9,11,19H,2-3,15H2,1H3,(H2,16,21)(H,17,18)(H,20,22)(H,23,24)(H,25,26)/t6-,8+,9+,11?/m1/s1 |
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InChI Key | SJMNSEOOTVHHOW-ZKVIKRRTSA-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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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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