Record Information |
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Version | 1.0 |
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Created at | 2022-09-03 21:37:35 UTC |
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Updated at | 2022-09-03 21:37:35 UTC |
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NP-MRD ID | NP0182821 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | ethyl (2r,3s)-2-[(2z,3s)-n-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate |
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Description | Ethyl (2R,3S)-2-[(2Z,3S)-N-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate belongs to the class of organic compounds known as isoleucine and derivatives. Isoleucine and derivatives are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. ethyl (2r,3s)-2-[(2z,3s)-n-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate is found in Albatrellus confluens. Based on a literature review very few articles have been published on ethyl (2R,3S)-2-[(2Z,3S)-N-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate. |
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Structure | CCOC(=O)[C@@H]([C@@H](C)CC)N(O)C(=O)C(=N/O)\[C@@H](C)CC InChI=1S/C14H26N2O5/c1-6-9(4)11(15-19)13(17)16(20)12(10(5)7-2)14(18)21-8-3/h9-10,12,19-20H,6-8H2,1-5H3/b15-11-/t9-,10-,12+/m0/s1 |
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Synonyms | Value | Source |
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Ethyl (2R,3S)-2-[(2Z,3S)-N-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoic acid | Generator |
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Chemical Formula | C14H26N2O5 |
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Average Mass | 302.3710 Da |
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Monoisotopic Mass | 302.18417 Da |
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IUPAC Name | ethyl (2R,3S)-2-[(2Z,3S)-N-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate |
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Traditional Name | ethyl (2R,3S)-2-[(2Z,3S)-N-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate |
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CAS Registry Number | Not Available |
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SMILES | CCOC(=O)[C@@H]([C@@H](C)CC)N(O)C(=O)C(=N/O)\[C@@H](C)CC |
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InChI Identifier | InChI=1S/C14H26N2O5/c1-6-9(4)11(15-19)13(17)16(20)12(10(5)7-2)14(18)21-8-3/h9-10,12,19-20H,6-8H2,1-5H3/b15-11-/t9-,10-,12+/m0/s1 |
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InChI Key | FLPLKVHLPJZQBT-KBUXXUECSA-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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Description | Belongs to the class of organic compounds known as isoleucine and derivatives. Isoleucine and derivatives are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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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 | Isoleucine and derivatives |
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Alternative Parents | |
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Substituents | - Isoleucine or derivatives
- Alpha-amino acid ester
- Fatty acid ester
- Fatty acyl
- Ketoxime
- Hydroxamic acid
- Carboxylic acid ester
- Oxime
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic 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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