Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 02:35:05 UTC |
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Updated at | 2021-07-15 16:51:37 UTC |
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NP-MRD ID | NP0005308 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Madurastatin A2 |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Madurastatin A2 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. Madurastatin A2 is found in Actinomadura madurae. It was first documented in 2004 (PMID: 15112961). Based on a literature review very few articles have been published on Madurastatin A2. |
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Structure | [H]ON(C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1O[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C([H])([H])[H])C(=O)N([H])[C@]1([H])C(=O)N(O[H])C([H])([H])C([H])([H])C1([H])[H] InChI=1S/C27H41N7O10/c1-16(30-26(41)20(15-35)32-24(39)17-7-3-4-10-21(17)36)23(38)29-12-11-22(37)33(43)13-5-8-18(28-2)25(40)31-19-9-6-14-34(44)27(19)42/h3-4,7,10,16,18-20,28,35-36,43-44H,5-6,8-9,11-15H2,1-2H3,(H,29,38)(H,30,41)(H,31,40)(H,32,39)/t16-,18+,19-,20+/m0/s1 |
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Synonyms | Value | Source |
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5-(3-{[(2S)-2-{[(2R)-1,3-dihydroxy-2-{[hydroxy(2-hydroxyphenyl)methylidene]amino}propylidene]amino}-1-hydroxypropylidene]amino}-N-hydroxypropanamido)-N-[(3S)-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 | (2R)-N-[(3S)-1-hydroxy-2-oxopiperidin-3-yl]-5-{N-hydroxy-3-[(2S)-2-[(2R)-3-hydroxy-2-[(2-hydroxyphenyl)formamido]propanamido]propanamido]propanamido}-2-(methylamino)pentanamide |
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Traditional Name | (2R)-N-[(3S)-1-hydroxy-2-oxopiperidin-3-yl]-5-{N-hydroxy-3-[(2S)-2-[(2R)-3-hydroxy-2-[(2-hydroxyphenyl)formamido]propanamido]propanamido]propanamido}-2-(methylamino)pentanamide |
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CAS Registry Number | Not Available |
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SMILES | CNC(CCCN(O)C(=O)CCNC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)C1=CC=CC=C1O)C(=O)N[C@H]1CCCN(O)C1=O |
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InChI Identifier | InChI=1S/C27H41N7O10/c1-16(30-26(41)20(15-35)32-24(39)17-7-3-4-10-21(17)36)23(38)29-12-11-22(37)33(43)13-5-8-18(28-2)25(40)31-19-9-6-14-34(44)27(19)42/h3-4,7,10,16,18-20,28,35-36,43-44H,5-6,8-9,11-15H2,1-2H3,(H,29,38)(H,30,41)(H,31,40)(H,32,39)/t16-,18?,19-,20+/m0/s1 |
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InChI Key | MOMGVKXQWKFOCF-OHSMVPPVSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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
- Hippuric acid or derivatives
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Serine or derivatives
- Beta amino acid or derivatives
- Alanine or derivatives
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- Salicylamide
- Salicylic acid or derivatives
- Benzamide
- Benzoic acid or derivatives
- Benzoyl
- Delta-lactam
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Phenol
- Piperidinone
- Fatty acyl
- Monocyclic benzene moiety
- Fatty amide
- N-acyl-amine
- Benzenoid
- Piperidine
- Vinylogous acid
- Lactam
- Hydroxamic acid
- Amino acid or derivatives
- Carboxamide group
- Secondary carboxylic acid amide
- Azacycle
- Carboxylic acid derivative
- Secondary amine
- Organoheterocyclic compound
- Secondary aliphatic amine
- Alcohol
- Carbonyl group
- Organonitrogen compound
- Organooxygen compound
- Primary alcohol
- Hydrocarbon derivative
- Organic oxide
- Amine
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- 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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