Record Information |
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Version | 2.0 |
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Created at | 2024-12-16 16:45:19 UTC |
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Updated at | 2024-12-18 00:01:45 UTC |
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NP-MRD ID | NP0350552 |
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Natural Product DOI | https://doi.org/10.57994/3526 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | coprisamides E |
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Description | Based on a literature review very few articles have been published on coprisamides E. |
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Structure | C\C=C\C=C\C=C/C1=CC=CC=C1\C=C\C(=O)N[C@H](C)C(=O)N[C@@H]1COC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CNC(=O)[C@@H](N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC1=O)C(C)C InChI=1S/C45H64N8O11/c1-9-10-11-12-13-16-29-17-14-15-18-30(29)19-20-35(54)48-28(8)39(57)52-34-24-64-45(63)32(22-36(55)56)50-41(59)33(23-47-43(61)37(46)26(4)5)51-44(62)38(27(6)7)53-40(58)31(21-25(2)3)49-42(34)60/h9-20,25-28,31-34,37-38H,21-24,46H2,1-8H3,(H,47,61)(H,48,54)(H,49,60)(H,50,59)(H,51,62)(H,52,57)(H,53,58)(H,55,56)/b10-9+,12-11+,16-13-,20-19+/t28-,31-,32-,33+,34?,37+,38?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C45H64N8O11 |
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Average Mass | 893.0520 Da |
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Monoisotopic Mass | 892.46945 Da |
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IUPAC Name | 2-[(3R,6S,9S,12R,15R)-6-{[(2S)-2-amino-3-methylbutanamido]methyl}-15-[(2R)-2-[(2E)-3-{2-[(1Z,3E,5E)-hepta-1,3,5-trien-1-yl]phenyl}prop-2-enamido]propanamido]-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-(propan-2-yl)-1-oxa-4,7,10,13-tetraazacyclohexadecan-3-yl]acetic acid |
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Traditional Name | [(3R,6S,9S,12R,15R)-6-{[(2S)-2-amino-3-methylbutanamido]methyl}-15-[(2R)-2-[(2E)-3-{2-[(1Z,3E,5E)-hepta-1,3,5-trien-1-yl]phenyl}prop-2-enamido]propanamido]-9-isopropyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-3-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | C\C=C\C=C\C=C/C1=CC=CC=C1\C=C\C(=O)N[C@H](C)C(=O)N[C@@H]1COC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CNC(=O)[C@@H](N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC1=O)C(C)C |
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InChI Identifier | InChI=1S/C45H64N8O11/c1-9-10-11-12-13-16-29-17-14-15-18-30(29)19-20-35(54)48-28(8)39(57)52-34-24-64-45(63)32(22-36(55)56)50-41(59)33(23-47-43(61)37(46)26(4)5)51-44(62)38(27(6)7)53-40(58)31(21-25(2)3)49-42(34)60/h9-20,25-28,31-34,37-38H,21-24,46H2,1-8H3,(H,47,61)(H,48,54)(H,49,60)(H,50,59)(H,51,62)(H,52,57)(H,53,58)(H,55,56)/b10-9+,12-11+,16-13-,20-19+/t28-,31-,32-,33+,34?,37+,38?/m1/s1 |
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InChI Key | BSSVIHFCLIVUGB-IWKPSORFSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | gckymd66@foxmail.com | Nanjing University | dgz | 2024-12-16 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental) | gckymd66@foxmail.com | Nanjing University | dgz | 2024-12-16 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | gckymd66@foxmail.com | Nanjing University | dgz | 2024-12-16 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental) | gckymd66@foxmail.com | Nanjing University | dgz | 2024-12-16 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | gckymd66@foxmail.com | Nanjing University | dgz | 2024-12-16 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | gckymd66@foxmail.com | Nanjing University | dgz | 2024-12-16 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | gckymd66@foxmail.com | Nanjing University | dgz | 2024-12-16 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600.13, C2D6OS, simulated) | gckymd66@foxmail.com | Nanjing University | dgz | 2024-12-16 | View Spectrum |
| Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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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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