Record Information |
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Version | 1.0 |
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Created at | 2022-09-03 04:33:10 UTC |
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Updated at | 2022-09-03 04:33:10 UTC |
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NP-MRD ID | NP0168701 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | n-(1-hydroxy-2-oxoazepan-3-yl)-3-{[2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid |
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Description | N-(1-hydroxy-2-oxoazepan-3-yl)-3-{[2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid belongs to the class of organic compounds known as depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating. Based on a literature review very few articles have been published on N-(1-hydroxy-2-oxoazepan-3-yl)-3-{[2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid. |
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Structure | CCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)N=C(O)C1=C(C)OC(=N1)C1=CC=CC=C1O)C(C)C(O)=NC1CCCCN(O)C1=O InChI=1S/C36H53N5O10/c1-5-6-7-8-9-20-30(23(2)32(44)37-27-17-12-15-22-41(49)35(27)46)51-36(47)28(18-13-14-21-40(48)25(4)42)38-33(45)31-24(3)50-34(39-31)26-16-10-11-19-29(26)43/h10-11,16,19,23,27-28,30,43,48-49H,5-9,12-15,17-18,20-22H2,1-4H3,(H,37,44)(H,38,45) |
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Synonyms | Value | Source |
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N-(1-Hydroxy-2-oxoazepan-3-yl)-3-{[2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidate | Generator |
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Chemical Formula | C36H53N5O10 |
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Average Mass | 715.8450 Da |
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Monoisotopic Mass | 715.37924 Da |
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IUPAC Name | N-(1-hydroxy-2-oxoazepan-3-yl)-3-{[2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid |
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Traditional Name | N-(1-hydroxy-2-oxoazepan-3-yl)-3-{[2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)N=C(O)C1=C(C)OC(=N1)C1=CC=CC=C1O)C(C)C(O)=NC1CCCCN(O)C1=O |
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InChI Identifier | InChI=1S/C36H53N5O10/c1-5-6-7-8-9-20-30(23(2)32(44)37-27-17-12-15-22-41(49)35(27)46)51-36(47)28(18-13-14-21-40(48)25(4)42)38-33(45)31-24(3)50-34(39-31)26-16-10-11-19-29(26)43/h10-11,16,19,23,27-28,30,43,48-49H,5-9,12-15,17-18,20-22H2,1-4H3,(H,37,44)(H,38,45) |
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InChI Key | YOKHMQIESLOQMH-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Peptidomimetics |
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Sub Class | Depsipeptides |
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Direct Parent | Depsipeptides |
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Alternative Parents | |
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Substituents | - Depsipeptide
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid ester
- Phenyl-1,3-oxazole
- Alpha-amino acid or derivatives
- 2-heteroaryl carboxamide
- Caprolactam
- 2,4,5-trisubstituted 1,3-oxazole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Fatty acid ester
- Azepane
- Fatty acyl
- Benzenoid
- N-acyl-amine
- Fatty amide
- Monocyclic benzene moiety
- Heteroaromatic compound
- Acetohydroxamic acid
- Acetamide
- Oxazole
- Azole
- Secondary carboxylic acid amide
- Lactam
- Hydroxamic acid
- Carboxylic acid ester
- Carboxamide group
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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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