benthiavalicarb-isopropyl (CHEBI:81732)

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ChEBI Name	benthiavalicarb-isopropyl

ChEBI ID	CHEBI:81732

Definition	A carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C18H24FN3O3S

Net Charge

Average Mass

381.46500

Monoisotopic Mass

381.15224

InChI

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

Roles Classification
Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via benzothiazole fungicide ) (via carbamate fungicide ) (via valinamide fungicide ) (via amide fungicide ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via amide antifungal agent )

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via benzothiazole fungicide ) (via carbamate fungicide ) (via valinamide fungicide ) (via amide fungicide )

ChEBI Ontology
Outgoing	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	Sources
1-methylethyl ((1S)-1-((((1R)-1-(6-fluoro-2-benzothiazolyl)ethyl)amino)carbonyl)-2-methylpropyl)carbamate	ChemIDplus
benthiavalicarb isopropyl	ChemIDplus
isopropyl ((S)-1-{((1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl)carbamoyl}-2-methylpropyl)carbamate	ChemIDplus

Manual Xrefs	Databases
2172	PPDB
C18415	KEGG COMPOUND
derivatives/benthiavalicarb-isopropyl	Alan Wood's Pesticides
View more database links

Citation	Type	Source
24176337	PubMed citation	Europe PMC

Last Modified

07 March 2018