Record Information |
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Version | 1.0 |
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Created at | 2022-09-11 17:21:48 UTC |
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Updated at | 2022-09-11 17:21:48 UTC |
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NP-MRD ID | NP0317459 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
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Description | 2-{[2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-2-[5-(4-formyl-2-hydroxy-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. {[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid is found in Streptomyces tendae. Based on a literature review very few articles have been published on 2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-2-[5-(4-formyl-2-hydroxy-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid. |
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Structure | NC(CC1=CC=C(O)C=C1)C(O)=NC(C1OC(C(O)C1O)N1C=C(C=O)N=C1O)C(O)=O InChI=1S/C19H22N4O9/c20-11(5-8-1-3-10(25)4-2-8)16(28)22-12(18(29)30)15-13(26)14(27)17(32-15)23-6-9(7-24)21-19(23)31/h1-4,6-7,11-15,17,25-27H,5,20H2,(H,21,31)(H,22,28)(H,29,30) |
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Synonyms | Value | Source |
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2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-2-[5-(4-formyl-2-hydroxy-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetate | Generator |
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Chemical Formula | C19H22N4O9 |
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Average Mass | 450.4040 Da |
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Monoisotopic Mass | 450.13868 Da |
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IUPAC Name | 2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-2-[5-(4-formyl-2-hydroxy-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
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Traditional Name | {[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | NC(CC1=CC=C(O)C=C1)C(O)=NC(C1OC(C(O)C1O)N1C=C(C=O)N=C1O)C(O)=O |
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InChI Identifier | InChI=1S/C19H22N4O9/c20-11(5-8-1-3-10(25)4-2-8)16(28)22-12(18(29)30)15-13(26)14(27)17(32-15)23-6-9(7-24)21-19(23)31/h1-4,6-7,11-15,17,25-27H,5,20H2,(H,21,31)(H,22,28)(H,29,30) |
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InChI Key | AEDRUJHNHSLWIZ-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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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 | Dipeptides |
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Alternative Parents | |
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Substituents | - Alpha-dipeptide
- Tyrosine or derivatives
- Phenylalanine or derivatives
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Alpha-amino acid amide
- Glycosyl compound
- N-glycosyl compound
- Amphetamine or derivatives
- Alpha-amino acid or derivatives
- Imidazolyl carboxylic acid derivative
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Imidazole-4-carbonyl group
- Phenol
- Aryl-aldehyde
- N-substituted imidazole
- Monocyclic benzene moiety
- Fatty acyl
- Benzenoid
- Fatty amide
- Imidazole
- Heteroaromatic compound
- Azole
- Vinylogous amide
- Tetrahydrofuran
- Amino acid
- Amino acid or derivatives
- Urea
- 1,2-diol
- Carboxamide group
- Secondary alcohol
- Secondary carboxylic acid amide
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Primary amine
- Aldehyde
- Carbonyl group
- Alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Amine
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary aliphatic amine
- 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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