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CHEBI:173099 - XJB-5-131
| Formula | C53H80N7O9 |
| Net Charge | 0 |
| Average Mass | 959.263 |
| Monoisotopic Mass | 958.60175 |
| SMILES | CC(C)C[C@@H](/C=C/[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C(C)C)NC(=O)OC(C)(C)C |
| InChI | InChI=1S/C53H80N7O9/c1-35(2)30-40(56-50(66)69-51(5,6)7)27-26-39(31-37-20-14-12-15-21-37)48(64)59-29-19-25-43(59)46(62)58-44(36(3)4)47(63)57-42(24-18-28-54-49(65)68-34-38-22-16-13-17-23-38)45(61)55-41-32-52(8,9)60(67)53(10,11)33-41/h12-17,20-23,26-27,35-36,39-44H,18-19,24-25,28-34H2,1-11H3,(H,54,65)(H,55,61)(H,56,66)(H,57,63)(H,58,62)/b27-26+/t39-,40-,42+,43+,44+/m1/s1 |
| InChIKey | VDQKIDYOPUMJGQ-VQPCLXHQSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals. |
| Biological Roles: | peptidomimetic A small protein-like chain designed to mimic a peptide. ferroptosis inhibitor Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. |
| Application: | radiation protective agent Any compound that is able to protect normal cells from the damage caused by radiation therapy. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| XJB-5-131 (CHEBI:173099) has role ferroptosis inhibitor (CHEBI:173084) |
| XJB-5-131 (CHEBI:173099) has role peptidomimetic (CHEBI:63175) |
| XJB-5-131 (CHEBI:173099) has role radiation protective agent (CHEBI:66987) |
| XJB-5-131 (CHEBI:173099) has role radical scavenger (CHEBI:48578) |
| XJB-5-131 (CHEBI:173099) is a tert-butyl ester (CHEBI:140402) |
| XJB-5-131 (CHEBI:173099) is a L-ornithine derivative (CHEBI:21368) |
| XJB-5-131 (CHEBI:173099) is a L-proline derivative (CHEBI:84186) |
| XJB-5-131 (CHEBI:173099) is a L-valine derivative (CHEBI:84129) |
| XJB-5-131 (CHEBI:173099) is a aminoxyls (CHEBI:39477) |
| XJB-5-131 (CHEBI:173099) is a benzyl ester (CHEBI:90628) |
| XJB-5-131 (CHEBI:173099) is a carbamate ester (CHEBI:23003) |
| XJB-5-131 (CHEBI:173099) is a olefinic compound (CHEBI:78840) |
| XJB-5-131 (CHEBI:173099) is a piperidines (CHEBI:26151) |
| XJB-5-131 (CHEBI:173099) is a secondary carboxamide (CHEBI:140325) |
| IUPAC Name |
|---|
| {4-[(1-{(2S,3E,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-7-methyloct-3-enoyl}-L-prolyl-L-valyl-N5-[(benzyloxy)carbonyl]-L-ornithyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl}oxidanyl |
| Synonyms | Source |
|---|---|
| (4-{[(2S)-2-{[(2S)-2-({[(2S)-1-{(2S,3E,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-7-methyloct-3-enoyl}pyrrolidin-2-yl]carbonyl}amino)-3-methylbutanoyl]amino}-5-{[(benzyloxy)carbonyl]amino}pentanoyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl | IUPAC |
| XJB-5131 | ChEBI |
| XJB-5 131 | ChEBI |
| Citations |
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