Record Information |
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Version | 2.0 |
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Created at | 2022-09-06 13:37:25 UTC |
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Updated at | 2022-09-06 13:37:25 UTC |
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NP-MRD ID | NP0232397 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 3-[({[(1s)-1-[(4-carbamimidamidobutyl)-c-hydroxycarbonimidoyl]-3-methylbutyl]-c-hydroxycarbonimidoyl}methyl)amino]-n-(5-carbamimidamidopentyl)decanimidic acid |
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Description | Minalemine A belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on Minalemine A. |
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Structure | CCCCCCCC(CC(O)=NCCCCCNC(N)=N)NCC(O)=N[C@@H](CC(C)C)C(O)=NCCCCNC(N)=N InChI=1S/C29H60N10O3/c1-4-5-6-7-9-14-23(20-25(40)34-15-10-8-11-17-36-28(30)31)38-21-26(41)39-24(19-22(2)3)27(42)35-16-12-13-18-37-29(32)33/h22-24,38H,4-21H2,1-3H3,(H,34,40)(H,35,42)(H,39,41)(H4,30,31,36)(H4,32,33,37)/t23?,24-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C29H60N10O3 |
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Average Mass | 596.8660 Da |
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Monoisotopic Mass | 596.48499 Da |
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IUPAC Name | 3-[({[(1S)-1-[(4-carbamimidamidobutyl)-C-hydroxycarbonimidoyl]-3-methylbutyl]-C-hydroxycarbonimidoyl}methyl)amino]-N-(5-carbamimidamidopentyl)decanimidic acid |
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Traditional Name | 3-[({[(1S)-1-[(4-carbamimidamidobutyl)-C-hydroxycarbonimidoyl]-3-methylbutyl]-C-hydroxycarbonimidoyl}methyl)amino]-N-(5-carbamimidamidopentyl)decanimidic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCC(CC(O)=NCCCCCNC(N)=N)NCC(O)=N[C@@H](CC(C)C)C(O)=NCCCCNC(N)=N |
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InChI Identifier | InChI=1S/C29H60N10O3/c1-4-5-6-7-9-14-23(20-25(40)34-15-10-8-11-17-36-28(30)31)38-21-26(41)39-24(19-22(2)3)27(42)35-16-12-13-18-37-29(32)33/h22-24,38H,4-21H2,1-3H3,(H,34,40)(H,35,42)(H,39,41)(H4,30,31,36)(H4,32,33,37)/t23?,24-/m0/s1 |
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InChI Key | UYMLCTRITFFGRD-CGAIIQECSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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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 | Dipeptides |
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Alternative Parents | |
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Substituents | - Alpha-dipeptide
- Leucine or derivatives
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Beta amino acid or derivatives
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- Fatty amide
- Fatty acyl
- N-acyl-amine
- Amino acid or derivatives
- Guanidine
- Carboxamide group
- Secondary carboxylic acid amide
- Propargyl-type 1,3-dipolar organic compound
- Secondary aliphatic amine
- Carboximidamide
- Secondary amine
- Organic 1,3-dipolar compound
- Organic nitrogen compound
- Organonitrogen compound
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Amine
- Organic oxide
- Organic oxygen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic 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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