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CHEBI:81732 - benthiavalicarb-isopropyl

ChEBI IDCHEBI:81732
ChEBI Namebenthiavalicarb-isopropyl
Stars
DefinitionA carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide.
Last Modified7 March 2018
DownloadsMolfile
FormulaC18H24FN3O3S
Net Charge0
Average Mass381.473
Monoisotopic Mass381.15224
SMILESCC(C)OC(=O)N[C@H](C(=O)N[C@H](C)c1nc2ccc(F)cc2s1)C(C)C
InChIInChI=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
InChIKeyUSRKFGIXLGKMKU-ABAIWWIYSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
benthiavalicarb-isopropyl (CHEBI:81732) has functional parent benthiavalicarb (CHEBI:83601)
benthiavalicarb-isopropyl (CHEBI:81732) has role antifungal agrochemical (CHEBI:86328)
benthiavalicarb-isopropyl (CHEBI:81732) is a benzothiazole fungicide (CHEBI:87038)
benthiavalicarb-isopropyl (CHEBI:81732) is a benzothiazoles (CHEBI:37947)
benthiavalicarb-isopropyl (CHEBI:81732) is a carbamate ester (CHEBI:23003)
benthiavalicarb-isopropyl (CHEBI:81732) is a carbamate fungicide (CHEBI:87061)
benthiavalicarb-isopropyl (CHEBI:81732) is a organofluorine compound (CHEBI:37143)
benthiavalicarb-isopropyl (CHEBI:81732) is a secondary carboxamide (CHEBI:140325)
benthiavalicarb-isopropyl (CHEBI:81732) is a valinamide fungicide (CHEBI:87029)
benthiavalicarb-isopropyl (CHEBI:81732) is a valine derivative (CHEBI:27267)
IUPAC Name 
isopropyl [(2S)-1-{[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
Synonyms  Source
benthiavalicarb isopropylChemIDplus
isopropyl ((S)-1-{((1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl)carbamoyl}-2-methylpropyl)carbamateChemIDplus
1-methylethyl ((1S)-1-((((1R)-1-(6-fluoro-2-benzothiazolyl)ethyl)amino)carbonyl)-2-methylpropyl)carbamateChemIDplus
Manual XrefsDatabases
C18415KEGG COMPOUND
derivatives/benthiavalicarb-isopropylAlan Wood's Pesticides
2172PPDB
Registry NumbersSources
Reaxys:11343403Reaxys
CAS:177406-68-7KEGG COMPOUND
CAS:177406-68-7ChemIDplus
Citations