Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 09:58:18 UTC |
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Updated at | 2022-09-12 09:58:19 UTC |
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NP-MRD ID | NP0327413 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-[(2-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxy-n-methylpropanamido}-1-hydroxy-3-methylbutylidene)amino]-4-(4-hydroxyphenyl)butanoic acid |
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Description | 2-[(2-{2-[(3-Amino-1,2-dihydroxydecylidene)amino]-3-hydroxy-N-methylpropanamido}-1-hydroxy-3-methylbutylidene)amino]-4-(4-hydroxyphenyl)butanoic acid belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. 2-[(2-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxy-n-methylpropanamido}-1-hydroxy-3-methylbutylidene)amino]-4-(4-hydroxyphenyl)butanoic acid is found in Planktothrix agardhii. Based on a literature review very few articles have been published on 2-[(2-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxy-N-methylpropanamido}-1-hydroxy-3-methylbutylidene)amino]-4-(4-hydroxyphenyl)butanoic acid. |
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Structure | CCCCCCCC(N)C(O)C(O)=NC(CO)C(=O)N(C)C(C(C)C)C(O)=NC(CCC1=CC=C(O)C=C1)C(O)=O InChI=1S/C29H48N4O8/c1-5-6-7-8-9-10-21(30)25(36)27(38)32-23(17-34)28(39)33(4)24(18(2)3)26(37)31-22(29(40)41)16-13-19-11-14-20(35)15-12-19/h11-12,14-15,18,21-25,34-36H,5-10,13,16-17,30H2,1-4H3,(H,31,37)(H,32,38)(H,40,41) |
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Synonyms | Value | Source |
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2-[(2-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxy-N-methylpropanamido}-1-hydroxy-3-methylbutylidene)amino]-4-(4-hydroxyphenyl)butanoate | Generator |
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Chemical Formula | C29H48N4O8 |
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Average Mass | 580.7230 Da |
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Monoisotopic Mass | 580.34721 Da |
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IUPAC Name | 2-[(2-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxy-N-methylpropanamido}-1-hydroxy-3-methylbutylidene)amino]-4-(4-hydroxyphenyl)butanoic acid |
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Traditional Name | 2-[(2-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxy-N-methylpropanamido}-1-hydroxy-3-methylbutylidene)amino]-4-(4-hydroxyphenyl)butanoic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCC(N)C(O)C(O)=NC(CO)C(=O)N(C)C(C(C)C)C(O)=NC(CCC1=CC=C(O)C=C1)C(O)=O |
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InChI Identifier | InChI=1S/C29H48N4O8/c1-5-6-7-8-9-10-21(30)25(36)27(38)32-23(17-34)28(39)33(4)24(18(2)3)26(37)31-22(29(40)41)16-13-19-11-14-20(35)15-12-19/h11-12,14-15,18,21-25,34-36H,5-10,13,16-17,30H2,1-4H3,(H,31,37)(H,32,38)(H,40,41) |
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InChI Key | FAFNVISAZDFOJC-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 hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through 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 | Peptidomimetics |
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Sub Class | Hybrid peptides |
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Direct Parent | Hybrid peptides |
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Alternative Parents | |
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Substituents | - Hybrid peptide
- Valine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Serine or derivatives
- Beta amino acid or derivatives
- Alpha-amino acid or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Fatty amide
- Monosaccharide
- N-acyl-amine
- Fatty acyl
- Benzenoid
- Tertiary carboxylic acid amide
- Amino acid or derivatives
- Secondary carboxylic acid amide
- Secondary alcohol
- Amino acid
- Carboxamide group
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organooxygen compound
- Organic oxide
- Organic nitrogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Amine
- Carbonyl group
- Organopnictogen compound
- Alcohol
- Primary alcohol
- Primary amine
- Hydrocarbon derivative
- Organonitrogen compound
- 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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