Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 00:31:55 UTC |
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Updated at | 2021-07-15 16:45:48 UTC |
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NP-MRD ID | NP0003211 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Belactosin B |
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Provided By | NPAtlas |
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Description | Belactosin B is found in Streptomyces sp. It was first documented in 2000 (PMID: 10724015). Based on a literature review very few articles have been published on (2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-3-[(1R,2S)-2-{[(2R,3S)-3-[(2S)-butan-2-yl]-1,2-dihydroxy-4-methoxy-4-oxobutylidene]amino}cyclopropyl]propanoic acid. |
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Structure | [H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])[C@]1([H])N([H])C(=O)[C@]([H])(O[H])[C@@]([H])(C(=O)OC([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] InChI=1S/C18H31N3O7/c1-5-8(2)13(18(27)28-4)14(22)16(24)20-11-6-10(11)7-12(17(25)26)21-15(23)9(3)19/h8-14,22H,5-7,19H2,1-4H3,(H,20,24)(H,21,23)(H,25,26)/t8-,9-,10+,11-,12-,13-,14+/m0/s1 |
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Synonyms | Value | Source |
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(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-3-[(1R,2S)-2-{[(2R,3S)-3-[(2S)-butan-2-yl]-1,2-dihydroxy-4-methoxy-4-oxobutylidene]amino}cyclopropyl]propanoate | Generator |
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Chemical Formula | C18H31N3O7 |
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Average Mass | 401.4600 Da |
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Monoisotopic Mass | 401.21620 Da |
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IUPAC Name | (2S)-2-[(2S)-2-aminopropanamido]-3-[(1R,2S)-2-[(2R,3S)-3-[(2S)-butan-2-yl]-2-hydroxy-3-(methyl carboxy)propanamido]cyclopropyl]propanoic acid |
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Traditional Name | (2S)-2-[(2S)-2-aminopropanamido]-3-[(1R,2S)-2-[(2R,3S)-3-[(2S)-butan-2-yl]-2-hydroxy-3-(methyl carboxy)propanamido]cyclopropyl]propanoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC[C@H](C)[C@@H]([C@@H](O)C(=O)N[C@H]1C[C@@H]1C[C@H](NC(=O)[C@H](C)N)C(O)=O)C(=O)OC |
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InChI Identifier | InChI=1S/C18H31N3O7/c1-5-8(2)13(18(27)28-4)14(22)16(24)20-11-6-10(11)7-12(17(25)26)21-15(23)9(3)19/h8-14,22H,5-7,19H2,1-4H3,(H,20,24)(H,21,23)(H,25,26)/t8-,9-,10+,11-,12-,13-,14+/m0/s1 |
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InChI Key | GZUZMJQLRANFIY-DDASBUEYSA-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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