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ONTOLOGY REPORT - ANNOTATIONS


Term:(2S)-3-methyl-2-((2R,3S)-3-[(methylsulfonyl)amino]-1-\{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl\}pyrrolidin-2-yl)butanoic acid
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Accession:CHEBI:39551 term browser browse the term
Definition:An N-acylpyrrolidine resulting from the formal condensation of the pyrrolidine nitrogen of (2R,3S)-2-[(2S)-(2-carboxy)isobutyl-3-(methylsulfonylamino)pyrrolidine with the carboxylic acid group of 2-(pyrrolidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid.
Synonyms:exact_synonym: (2S)-3-methyl-2-[(2R,3S)-3-[(methanesulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl]butanoic acid
 related_synonym: Formula=C19H30N4O6S;   InChI=1S/C19H30N4O6S/c1-12(2)16(19(25)26)17-13(21-30(3,27)28)6-9-23(17)18(24)14-11-29-15(20-14)10-22-7-4-5-8-22/h11-13,16-17,21H,4-10H2,1-3H3,(H,25,26)/t13-,16-,17-/m0/s1;   InChIKey=PWBJTGRBTWYVSH-JQFCIGGWSA-N;   SMILES=CC(C)[C@@H]([C@@H]1[C@H](CCN1C(=O)c1coc(CN2CCCC2)n1)NS(C)(=O)=O)C(O)=O
 xref: PDBeChem:151


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Term Annotations click to browse term
  CHEBI ontology 23754
    chemical entity 23717
      atom 23703
        nonmetal atom 23352
          nitrogen atom 20395
            nitrogen molecular entity 20395
              amide 18547
                N-acylpyrrolidine 18
                  (2S)-3-methyl-2-((2R,3S)-3-[(methylsulfonyl)amino]-1-\{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl\}pyrrolidin-2-yl)butanoic acid 0
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Term Annotations click to browse term
  CHEBI ontology 23754
    subatomic particle 23703
      composite particle 23703
        hadron 23703
          baryon 23703
            nucleon 23703
              atomic nucleus 23703
                atom 23703
                  main group element atom 23522
                    p-block element atom 23522
                      carbon group element atom 23232
                        carbon atom 23208
                          organic molecular entity 23208
                            organic group 21897
                              organic divalent group 21869
                                organodiyl group 21869
                                  carbonyl group 21840
                                    carbonyl compound 21840
                                      carboxylic acid 20885
                                        monocarboxylic acid 19768
                                          fatty acid 18119
                                            short-chain fatty acid 17730
                                              fatty acid 4:0 7106
                                                butyric acid 5389
                                                  (2S)-3-methyl-2-((2R,3S)-3-[(methylsulfonyl)amino]-1-\{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl\}pyrrolidin-2-yl)butanoic acid 0
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