Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 03:45:51 UTC |
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Updated at | 2021-07-15 16:55:57 UTC |
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NP-MRD ID | NP0006843 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cinnabaramide G |
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Provided By | NPAtlas |
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Description | Cinnabaramide G belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Cinnabaramide G is found in Streptomyces sp. It was first documented in 2007 (PMID: 17249727). Based on a literature review very few articles have been published on cinnabaramide G. |
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Structure | [H]O[C@@]([H])([C@]1([H])C([H])=C([H])C([H])([H])C([H])([H])C1([H])[H])[C@]1(N([H])C(=O)[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]1(O[H])C([H])([H])[H])C(=O)SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])[H])C(=O)OC([H])([H])[H] InChI=1S/C25H40N2O7S/c1-5-6-7-11-14-18-21(30)27-25(24(18,3)33,20(29)17-12-9-8-10-13-17)23(32)35-15-19(22(31)34-4)26-16(2)28/h9,12,17-20,29,33H,5-8,10-11,13-15H2,1-4H3,(H,26,28)(H,27,30)/t17-,18+,19+,20+,24+,25+/m1/s1 |
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Synonyms | Value | Source |
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N-[(2R)-3-[(2R,3S,4R)-2-[(S)-[(1S)-Cyclohex-2-en-1-yl](hydroxy)methyl]-4-hexyl-3,5-dihydroxy-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonylsulfanyl]-1-methoxy-1-oxopropan-2-yl]ethanimidate | Generator | N-[(2R)-3-[(2R,3S,4R)-2-[(S)-[(1S)-Cyclohex-2-en-1-yl](hydroxy)methyl]-4-hexyl-3,5-dihydroxy-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonylsulphanyl]-1-methoxy-1-oxopropan-2-yl]ethanimidate | Generator | N-[(2R)-3-[(2R,3S,4R)-2-[(S)-[(1S)-Cyclohex-2-en-1-yl](hydroxy)methyl]-4-hexyl-3,5-dihydroxy-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonylsulphanyl]-1-methoxy-1-oxopropan-2-yl]ethanimidic acid | Generator |
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Chemical Formula | C25H40N2O7S |
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Average Mass | 512.6600 Da |
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Monoisotopic Mass | 512.25562 Da |
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IUPAC Name | methyl (2R)-3-[(2R,3S,4R)-2-[(S)-[(1S)-cyclohex-2-en-1-yl](hydroxy)methyl]-4-hexyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbonylsulfanyl]-2-acetamidopropanoate |
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Traditional Name | methyl (2R)-3-[(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-hexyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbonylsulfanyl]-2-acetamidopropanoate |
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CAS Registry Number | Not Available |
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SMILES | CCCCCC[C@H]1C(=O)N[C@@]([C@@H](O)[C@H]2CCCC=C2)(C(=O)SC[C@H](NC(C)=O)C(=O)OC)[C@@]1(C)O |
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InChI Identifier | InChI=1S/C25H40N2O7S/c1-5-6-7-11-14-18-21(30)27-25(24(18,3)33,20(29)17-12-9-8-10-13-17)23(32)35-15-19(22(31)34-4)26-16(2)28/h9,12,17-20,29,33H,5-8,10-11,13-15H2,1-4H3,(H,26,28)(H,27,30)/t17-,18+,19+,20+,24+,25+/m1/s1 |
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InChI Key | GMTRMEITDRYTSO-YNCBRICXSA-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 n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
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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 | N-acyl-alpha amino acids and derivatives |
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Alternative Parents | |
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Substituents | - Alpha-amino acid ester
- N-acyl-alpha amino acid or derivatives
- Cysteine or derivatives
- Pyrrolidine carboxylic acid or derivatives
- Pyrrolidone
- 2-pyrrolidone
- Pyrrolidine
- Acetamide
- Tertiary alcohol
- Methyl ester
- Carboxamide group
- Carboxylic acid ester
- Lactam
- Secondary alcohol
- Secondary carboxylic acid amide
- Carbothioic s-ester
- Thiocarboxylic acid ester
- Azacycle
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Thiocarboxylic acid or derivatives
- Sulfenyl compound
- Hydrocarbon derivative
- Organic oxide
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Organic nitrogen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic 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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