Record Information |
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Version | 2.0 |
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Created at | 2024-09-16 05:02:21 UTC |
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Updated at | 2024-09-25 11:23:43 UTC |
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NP-MRD ID | NP0341813 |
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Natural Product DOI | https://doi.org/10.57994/3299 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | paraisariamide H |
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Description | Paraisariamide H belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on paraisariamide H. |
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Structure | [H][C@@]1(NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@]([H])(NC1=O)[C@@H](C)CC)[C@@H](C)CC InChI=1S/C37H67N7O7/c1-16-22(7)29-33(47)40-30(23(8)17-2)37(51)43(14)26(11)35(49)44(15)28(19-21(5)6)32(46)38-27(18-20(3)4)36(50)42(13)25(10)34(48)41(12)24(9)31(45)39-29/h20-30H,16-19H2,1-15H3,(H,38,46)(H,39,45)(H,40,47)/t22-,23-,24+,25-,26-,27-,28-,29+,30+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C37H67N7O7 |
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Average Mass | 721.9850 Da |
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Monoisotopic Mass | 721.51020 Da |
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IUPAC Name | (3S,6S,9S,12S,15R,18R,21R)-15,18-bis[(2S)-butan-2-yl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone |
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Traditional Name | (3S,6S,9S,12S,15R,18R,21R)-15,18-bis[(2S)-butan-2-yl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@]([H])(NC1=O)[C@@H](C)CC)[C@@H](C)CC |
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InChI Identifier | InChI=1S/C37H67N7O7/c1-16-22(7)29-33(47)40-30(23(8)17-2)37(51)43(14)26(11)35(49)44(15)28(19-21(5)6)32(46)38-27(18-20(3)4)36(50)42(13)25(10)34(48)41(12)24(9)31(45)39-29/h20-30H,16-19H2,1-15H3,(H,38,46)(H,39,45)(H,40,47)/t22-,23-,24+,25-,26-,27-,28-,29+,30+/m0/s1 |
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InChI Key | QIUHDPGVIWHYAI-POHLFDDRSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, experimental) | rmtehan@utica.edu | Utica University, Oregon State University | Richard Tehan | 2024-09-16 | 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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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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insignis | | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
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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 | Oligopeptides |
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Alternative Parents | |
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Substituents | - Alpha-oligopeptide
- Leucine or derivatives
- Isoleucine or derivatives
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alanine or derivatives
- Alpha-amino acid or derivatives
- N-substituted-alpha-amino acid
- Fatty acyl
- N-acyl-amine
- Fatty amide
- Tertiary carboxylic acid amide
- Lactam
- Carboxamide group
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen 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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