Record Information |
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Version | 2.0 |
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Created at | 2023-08-10 08:00:25 UTC |
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Updated at | 2024-09-03 04:16:46 UTC |
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NP-MRD ID | NP0331758 |
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Natural Product DOI | https://doi.org/10.57994/0795 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Penicopeptide A |
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Description | Based on a literature review very few articles have been published on Penicopeptide A. |
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Structure | CN1[C@H](CC2=CC=CC=C2)C(=O)NC2=C(C=CC=C2)C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)NC2=C(C=CC=C2)C1=O InChI=1S/C34H32N4O4/c1-37-29(21-23-13-5-3-6-14-23)31(39)35-28-20-12-10-18-26(28)34(42)38(2)30(22-24-15-7-4-8-16-24)32(40)36-27-19-11-9-17-25(27)33(37)41/h3-20,29-30H,21-22H2,1-2H3,(H,35,39)(H,36,40)/t29-,30-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C34H32N4O4 |
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Average Mass | 560.6540 Da |
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Monoisotopic Mass | 560.24236 Da |
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IUPAC Name | (4R,15R)-4,15-dibenzyl-5,16-dimethyl-2,5,13,16-tetraazatricyclo[16.4.0.0^{7,12}]docosa-1(18),7(12),8,10,19,21-hexaene-3,6,14,17-tetrone |
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Traditional Name | (4R,15R)-4,15-dibenzyl-5,16-dimethyl-2,5,13,16-tetraazatricyclo[16.4.0.0^{7,12}]docosa-1(18),7(12),8,10,19,21-hexaene-3,6,14,17-tetrone |
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CAS Registry Number | Not Available |
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SMILES | CN1[C@H](CC2=CC=CC=C2)C(=O)NC2=C(C=CC=C2)C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)NC2=C(C=CC=C2)C1=O |
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InChI Identifier | InChI=1S/C34H32N4O4/c1-37-29(21-23-13-5-3-6-14-23)31(39)35-28-20-12-10-18-26(28)34(42)38(2)30(22-24-15-7-4-8-16-24)32(40)36-27-19-11-9-17-25(27)33(37)41/h3-20,29-30H,21-22H2,1-2H3,(H,35,39)(H,36,40)/t29-,30-/m1/s1 |
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InChI Key | KFUYNVHWWPXROJ-LOYHVIPDSA-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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1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | llx7772699@163.com | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | llx7772699@163.com | Not Available | Not Available | 2024-05-08 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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, 500, CD3OD, simulated) | Not Available | Not Available | Not Available | 2024-05-08 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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versicolor HYQZ-215 | | |
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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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