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ONTOLOGY REPORT - ANNOTATIONS


Term:benthiavalicarb-isopropyl
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Accession:CHEBI:81732 term browser browse the term
Definition:A carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide.
Synonyms:exact_synonym: isopropyl [(2S)-1-{[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
 related_synonym: 1-methylethyl ((1S)-1-((((1R)-1-(6-fluoro-2-benzothiazolyl)ethyl)amino)carbonyl)-2-methylpropyl)carbamate;   Formula=C18H24FN3O3S;   InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1;   InChIKey=USRKFGIXLGKMKU-ABAIWWIYSA-N;   SMILES=CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1;   isopropyl ((S)-1-{((1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl)carbamoyl}-2-methylpropyl)carbamate
 xref: CAS:177406-68-7 "ChemIDplus";   CAS:177406-68-7 "KEGG COMPOUND";   KEGG:C18415;   PMID:24176337 "Europe PMC";   PPDB:2172;   Pesticides:derivatives/benthiavalicarb-isopropyl "Alan Wood's Pesticides";   Reaxys:11343403 "Reaxys"


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  CHEBI ontology 19734
    role 19680
      application 19336
        pesticide 16148
          antifungal agrochemical 7534
            benthiavalicarb-isopropyl 0
Path 2
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  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        carboacyl group 17074
                                          univalent carboacyl group 17074
                                            carbamoyl group 16804
                                              carboxamide 16804
                                                secondary carboxamide 205
                                                  benthiavalicarb-isopropyl 0
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