Record Information |
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Version | 1.0 |
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Created at | 2023-11-16 04:05:45 UTC |
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Updated at | 2024-05-04 02:01:55 UTC |
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NP-MRD ID | NP0332121 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | maritiamide A |
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Description | Not Available |
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Structure | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O)C(C)C InChI=1S/C41H61N7O7/c1-7-26(6)35-41(55)46-32(23-28-16-18-29(49)19-17-28)37(51)43-30(15-11-12-20-42)36(50)44-33(22-27-13-9-8-10-14-27)39(53)47-34(25(4)5)40(54)45-31(21-24(2)3)38(52)48-35/h8-10,13-14,16-19,24-26,30-35,49H,7,11-12,15,20-23,42H2,1-6H3,(H,43,51)(H,44,50)(H,45,54)(H,46,55)(H,47,53)(H,48,52)/t26-,30+,31+,32-,33-,34+,35-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C41H61N7O7 |
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Average Mass | 763.9810 Da |
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Monoisotopic Mass | 763.46325 Da |
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IUPAC Name | (3R,6S,9S,12R,15R,18S)-3-(4-aminobutyl)-18-benzyl-9-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-15-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone |
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Traditional Name | (3R,6S,9S,12R,15R,18S)-3-(4-aminobutyl)-18-benzyl-9-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-15-isopropyl-12-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone |
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CAS Registry Number | Not Available |
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SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O)C(C)C |
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InChI Identifier | InChI=1S/C41H61N7O7/c1-7-26(6)35-41(55)46-32(23-28-16-18-29(49)19-17-28)37(51)43-30(15-11-12-20-42)36(50)44-33(22-27-13-9-8-10-14-27)39(53)47-34(25(4)5)40(54)45-31(21-24(2)3)38(52)48-35/h8-10,13-14,16-19,24-26,30-35,49H,7,11-12,15,20-23,42H2,1-6H3,(H,43,51)(H,44,50)(H,45,54)(H,46,55)(H,47,53)(H,48,52)/t26-,30+,31+,32-,33-,34+,35-/m0/s1 |
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InChI Key | HKIHQBRMUZQZMY-GZHPZKTDSA-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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TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental) | jaeyoun1024@yonsei.ac.kr | Yonsei university | Jaeyoun Lee | 2024-05-04 | View Spectrum | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental) | jaeyoun1024@yonsei.ac.kr | Yonsei university | Jaeyoun Lee | 2023-11-16 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental) | jaeyoun1024@yonsei.ac.kr | Yonsei university | Jaeyoun Lee | 2023-11-16 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 900 MHz, CD3OD, experimental) | jaeyoun1024@yonsei.ac.kr | Yonsei university | Jaeyoun Lee | 2023-11-16 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 900 MHz, CD3OD, experimental) | jaeyoun1024@yonsei.ac.kr | Yonsei university | Jaeyoun Lee | 2023-11-16 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental) | jaeyoun1024@yonsei.ac.kr | Yonsei university | Jaeyoun Lee | 2023-11-16 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 226 MHz, CD3OD, experimental) | jaeyoun1024@yonsei.ac.kr | Yonsei university | Jaeyoun Lee | 2023-11-16 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 900 MHz, CD3OD, experimental) | jaeyoun1024@yonsei.ac.kr | Yonsei university | Jaeyoun Lee | 2023-11-16 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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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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