Record Information |
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Version | 1.0 |
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Created at | 2022-09-02 03:48:39 UTC |
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Updated at | 2022-09-02 03:48:39 UTC |
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NP-MRD ID | NP0148100 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-{3-[(2-{[2-amino-1-hydroxy-3-(2-hydroxybenzoyloxy)propylidene]amino}-1-hydroxypropylidene)amino]-n-hydroxypropanamido}-n-(1-hydroxy-2-oxopiperidin-3-yl)-2-(methylamino)pentanimidic acid |
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Description | 5-{3-[(2-{[2-Amino-1-hydroxy-3-(2-hydroxybenzoyloxy)propylidene]amino}-1-hydroxypropylidene)amino]-N-hydroxypropanamido}-N-(1-hydroxy-2-oxopiperidin-3-yl)-2-(methylamino)pentanimidic 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. 5-{3-[(2-{[2-amino-1-hydroxy-3-(2-hydroxybenzoyloxy)propylidene]amino}-1-hydroxypropylidene)amino]-n-hydroxypropanamido}-n-(1-hydroxy-2-oxopiperidin-3-yl)-2-(methylamino)pentanimidic acid is found in Actinomadura madurae. Based on a literature review very few articles have been published on 5-{3-[(2-{[2-amino-1-hydroxy-3-(2-hydroxybenzoyloxy)propylidene]amino}-1-hydroxypropylidene)amino]-N-hydroxypropanamido}-N-(1-hydroxy-2-oxopiperidin-3-yl)-2-(methylamino)pentanimidic acid. |
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Structure | CNC(CCCN(O)C(=O)CCN=C(O)C(C)N=C(O)C(N)COC(=O)C1=CC=CC=C1O)C(O)=NC1CCCN(O)C1=O InChI=1S/C27H41N7O10/c1-16(31-24(38)18(28)15-44-27(41)17-7-3-4-10-21(17)35)23(37)30-12-11-22(36)33(42)13-5-8-19(29-2)25(39)32-20-9-6-14-34(43)26(20)40/h3-4,7,10,16,18-20,29,35,42-43H,5-6,8-9,11-15,28H2,1-2H3,(H,30,37)(H,31,38)(H,32,39) |
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Synonyms | Value | Source |
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5-{3-[(2-{[2-amino-1-hydroxy-3-(2-hydroxybenzoyloxy)propylidene]amino}-1-hydroxypropylidene)amino]-N-hydroxypropanamido}-N-(1-hydroxy-2-oxopiperidin-3-yl)-2-(methylamino)pentanimidate | Generator |
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Chemical Formula | C27H41N7O10 |
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Average Mass | 623.6640 Da |
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Monoisotopic Mass | 623.29149 Da |
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IUPAC Name | 5-{3-[(2-{[2-amino-1-hydroxy-3-(2-hydroxybenzoyloxy)propylidene]amino}-1-hydroxypropylidene)amino]-N-hydroxypropanamido}-N-(1-hydroxy-2-oxopiperidin-3-yl)-2-(methylamino)pentanimidic acid |
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Traditional Name | 5-{3-[(2-{[2-amino-1-hydroxy-3-(2-hydroxybenzoyloxy)propylidene]amino}-1-hydroxypropylidene)amino]-N-hydroxypropanamido}-N-(1-hydroxy-2-oxopiperidin-3-yl)-2-(methylamino)pentanimidic acid |
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CAS Registry Number | Not Available |
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SMILES | CNC(CCCN(O)C(=O)CCN=C(O)C(C)N=C(O)C(N)COC(=O)C1=CC=CC=C1O)C(O)=NC1CCCN(O)C1=O |
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InChI Identifier | InChI=1S/C27H41N7O10/c1-16(31-24(38)18(28)15-44-27(41)17-7-3-4-10-21(17)35)23(37)30-12-11-22(36)33(42)13-5-8-19(29-2)25(39)32-20-9-6-14-34(43)26(20)40/h3-4,7,10,16,18-20,29,35,42-43H,5-6,8-9,11-15,28H2,1-2H3,(H,30,37)(H,31,38)(H,32,39) |
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InChI Key | KNPIAGSRCKISTI-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
- Alpha-dipeptide
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- O-hydroxybenzoic acid ester
- Alanine or derivatives
- Beta amino acid or derivatives
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- Salicylic acid or derivatives
- Benzoate ester
- Benzoic acid or derivatives
- Benzoyl
- Delta-lactam
- Piperidinone
- Phenol
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Benzenoid
- Fatty acyl
- Monocyclic benzene moiety
- Fatty amide
- Piperidine
- N-acyl-amine
- Vinylogous acid
- Amino acid or derivatives
- Secondary carboxylic acid amide
- Carboxamide group
- Carboxylic acid ester
- Hydroxamic acid
- Lactam
- Monocarboxylic acid or derivatives
- Azacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Secondary amine
- Secondary aliphatic amine
- Carbonyl group
- Organic oxygen compound
- Primary aliphatic amine
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Amine
- Organic nitrogen compound
- Organooxygen compound
- Primary 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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