Record Information |
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Version | 2.0 |
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Created at | 2022-09-10 10:21:05 UTC |
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Updated at | 2022-09-10 10:21:06 UTC |
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NP-MRD ID | NP0298844 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-amino-n-{[(2s)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}butanimidic acid |
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Description | Saframycin-Yd1 belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. 2-amino-n-{[(2s)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}butanimidic acid is found in Streptomyces lavendulae. Based on a literature review very few articles have been published on Saframycin-Yd1. |
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Structure | CCC(N)C(O)=NCC1N2[C@@H](CC3=C1C(=O)C(OC)=C(C)C3=O)C1N(C)C(CC3=C1C(=O)C(OC)=C(C)C3=O)C2C#N InChI=1S/C30H35N5O7/c1-7-16(32)30(40)33-11-20-21-14(24(36)12(2)28(41-5)26(21)38)9-18-23-22-15(25(37)13(3)29(42-6)27(22)39)8-17(34(23)4)19(10-31)35(18)20/h16-20,23H,7-9,11,32H2,1-6H3,(H,33,40)/t16?,17?,18-,19?,20?,23?/m0/s1 |
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Synonyms | Value | Source |
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Saframycin yd-1 | MeSH |
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Chemical Formula | C30H35N5O7 |
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Average Mass | 577.6380 Da |
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Monoisotopic Mass | 577.25365 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CCC(N)C(O)=NCC1N2[C@@H](CC3=C1C(=O)C(OC)=C(C)C3=O)C1N(C)C(CC3=C1C(=O)C(OC)=C(C)C3=O)C2C#N |
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InChI Identifier | InChI=1S/C30H35N5O7/c1-7-16(32)30(40)33-11-20-21-14(24(36)12(2)28(41-5)26(21)38)9-18-23-22-15(25(37)13(3)29(42-6)27(22)39)8-17(34(23)4)19(10-31)35(18)20/h16-20,23H,7-9,11,32H2,1-6H3,(H,33,40)/t16?,17?,18-,19?,20?,23?/m0/s1 |
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InChI Key | GTEZNZCFRJDWFN-UOZNNZGFSA-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
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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 | Alpha amino acid amides |
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Alternative Parents | |
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Substituents | - Isoquinoline quinone
- Alpha-amino acid amide
- Isoquinolone
- N-alkylpiperazine
- N-methylpiperazine
- Fatty acyl
- Piperazine
- N-acyl-amine
- Fatty amide
- 1,4-diazinane
- Vinylogous ester
- Alpha-aminonitrile
- Tertiary aliphatic amine
- Tertiary amine
- Secondary carboxylic acid amide
- Ketone
- Carboxamide group
- Azacycle
- Organoheterocyclic compound
- Nitrile
- Carbonitrile
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Amine
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic 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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