Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:49:33 UTC |
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Updated at | 2022-09-09 22:49:34 UTC |
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NP-MRD ID | NP0291654 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {n'-[(2s)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinecarbonyl}formic acid |
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Description | {N'-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinecarbonyl}formic acid belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. {n'-[(2s)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinecarbonyl}formic acid is found in Pleurotus ostreatus. Based on a literature review very few articles have been published on {N'-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinecarbonyl}formic acid. |
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Structure | COC(=O)[C@H](CC1=CC=CC=C1)NNC(=O)C(O)=O InChI=1S/C12H14N2O5/c1-19-12(18)9(13-14-10(15)11(16)17)7-8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1 |
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Synonyms | Value | Source |
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{N'-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinecarbonyl}formate | Generator |
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Chemical Formula | C12H14N2O5 |
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Average Mass | 266.2530 Da |
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Monoisotopic Mass | 266.09027 Da |
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IUPAC Name | {N'-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinecarbonyl}formic acid |
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Traditional Name | {N'-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinecarbonyl}formic acid |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NNC(=O)C(O)=O |
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InChI Identifier | InChI=1S/C12H14N2O5/c1-19-12(18)9(13-14-10(15)11(16)17)7-8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1 |
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InChI Key | AGOBFCADKQZOMD-VIFPVBQESA-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 phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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 | Phenylalanine and derivatives |
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Alternative Parents | |
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Substituents | - Phenylalanine or derivatives
- Alpha-amino acid ester
- Amphetamine or derivatives
- Fatty acid ester
- Fatty acyl
- Benzenoid
- Dicarboxylic acid or derivatives
- Monocyclic benzene moiety
- Methyl ester
- Carboxylic acid hydrazide
- Carboxylic acid ester
- Carboxylic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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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